N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride

C28H29Cl2NO — CID 17155741

IUPACN-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C28H28ClNO.ClH/c1-2-8-27(23-10-4-3-5-11-23)30-19-26-25-12-7-6-9-22(25)15-18-28(26)31-20-21-13-16-24(29)17-14-21;/h3-7,9-18,27,30H,2,8,19-20H2,1H3;1H
InChIKeyGSLGPGSUPPLBTH-UHFFFAOYSA-N
MW466.45 g/mol
LogP8.12
Rot. Bonds9

About N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride

N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride (PubChem CID 17155741) has the molecular formula C28H29Cl2NO and a molecular weight of 466.45 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
PubChem CID17155741
Molecular FormulaC28H29Cl2NO
Molecular Weight466.45 g/mol
Exact Mass465.16
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C28H28ClNO.ClH/c1-2-8-27(23-10-4-3-5-11-23)30-19-26-25-12-7-6-9-22(25)15-18-28(26)31-20-21-13-16-24(29)17-14-21;/h3-7,9-18,27,30H,2,8,19-20H2,1H3;1H
InChIKeyGSLGPGSUPPLBTH-UHFFFAOYSA-N
XLogP8.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.45
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156022
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methylbutan-2-amine;hydrochloride
CID 17210770
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17155917
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine
CID 54848983
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
CID 66527086
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17155694
1-(2-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17289773

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride (CID 17155741) is N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride is CCCC(NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1.Cl.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The InChIKey is GSLGPGSUPPLBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClNO.ClH/c1-2-8-27(23-10-4-3-5-11-23)30-19-26-25-12-7-6-9-22(25)15-18-28(26)31-20-21-13-16-24(29)17-14-21;/h3-7,9-18,27,30H,2,8,19-20H2,1H3;1H.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride has a molecular weight of 466.45 g/mol, XLogP of 8.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride is sourced from PubChem (CID 17155741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).