N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine

C26H23Cl2NO — CID 4715514

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
SMILESCC(NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H23Cl2NO/c1-18(19-7-3-2-4-8-19)29-16-24-23-10-6-5-9-20(23)12-14-26(24)30-17-21-11-13-22(27)15-25(21)28/h2-15,18,29H,16-17H2,1H3
InChIKeyBIDJWOPUXJQJJU-UHFFFAOYSA-N
MW436.38 g/mol
LogP7.58
Rot. Bonds7

About N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine

N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine (PubChem CID 4715514) has the molecular formula C26H23Cl2NO and a molecular weight of 436.38 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
PubChem CID4715514
Molecular FormulaC26H23Cl2NO
Molecular Weight436.38 g/mol
Exact Mass435.12
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
SMILESCC(NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H23Cl2NO/c1-18(19-7-3-2-4-8-19)29-16-24-23-10-6-5-9-20(23)12-14-26(24)30-17-21-11-13-22(27)15-25(21)28/h2-15,18,29H,16-17H2,1H3
InChIKeyBIDJWOPUXJQJJU-UHFFFAOYSA-N
XLogP7.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.38
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine 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

(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 40726488
(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 51991944
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17208850
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715547
(1S)-N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 40761543
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 17294824
(2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992052
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylethanamine
CID 4715538

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine (CID 4715514) is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine is CC(NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
The InChIKey is BIDJWOPUXJQJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2NO/c1-18(19-7-3-2-4-8-19)29-16-24-23-10-6-5-9-20(23)12-14-26(24)30-17-21-11-13-22(27)15-25(21)28/h2-15,18,29H,16-17H2,1H3.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine has a molecular weight of 436.38 g/mol, XLogP of 7.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 4715514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).