N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride

C21H24ClNO — CID 17155735

IUPACN-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1c(OCc2ccccc2)ccc2ccccc12.Cl
InChIInChI=1S/C21H23NO.ClH/c1-16(2)22-14-20-19-11-7-6-10-18(19)12-13-21(20)23-15-17-8-4-3-5-9-17;/h3-13,16,22H,14-15H2,1-2H3;1H
InChIKeyCITLPGOAUVMRHR-UHFFFAOYSA-N
MW341.88 g/mol
LogP5.34
Rot. Bonds6

About N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride

N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride (PubChem CID 17155735) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
PubChem CID17155735
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC NameN-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1c(OCc2ccccc2)ccc2ccccc12.Cl
InChIInChI=1S/C21H23NO.ClH/c1-16(2)22-14-20-19-11-7-6-10-18(19)12-13-21(20)23-15-17-8-4-3-5-9-17;/h3-13,16,22H,14-15H2,1-2H3;1H
InChIKeyCITLPGOAUVMRHR-UHFFFAOYSA-N
XLogP5.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.88
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-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

1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 66527244
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
CID 17210424
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine
CID 43505572
N-[(2-hexoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849913
N-[(2-heptoxynaphthalen-1-yl)methyl]propan-2-amine
CID 54849942
N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294780
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
N-[[2-[(E)-3-chloroprop-2-enoxy]naphthalen-1-yl]methyl]propan-2-amine
CID 60888087

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride (CID 17155735) is N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride is CC(C)NCc1c(OCc2ccccc2)ccc2ccccc12.Cl.
What is the InChIKey of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride?
The InChIKey is CITLPGOAUVMRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.ClH/c1-16(2)22-14-20-19-11-7-6-10-18(19)12-13-21(20)23-15-17-8-4-3-5-9-17;/h3-13,16,22H,14-15H2,1-2H3;1H.
What are the key properties of N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride?
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 17155735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).