(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine

C26H23Cl2NO — CID 51991944

IUPAC(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
SMILESC[C@H](NCc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H23Cl2NO/c1-18(19-8-3-2-4-9-19)29-16-22-21-11-6-5-10-20(21)14-15-26(22)30-17-23-24(27)12-7-13-25(23)28/h2-15,18,29H,16-17H2,1H3/t18-/m0/s1
InChIKeyAJLDMHAOWQYQIA-SFHVURJKSA-N
MW436.38 g/mol
LogP7.58
Rot. Bonds7

About (1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine

(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine (PubChem CID 51991944) has the molecular formula C26H23Cl2NO and a molecular weight of 436.38 g/mol. Its IUPAC name is (1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
PubChem CID51991944
Molecular FormulaC26H23Cl2NO
Molecular Weight436.38 g/mol
Exact Mass435.12
IUPAC Name(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
SMILESC[C@H](NCc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H23Cl2NO/c1-18(19-8-3-2-4-9-19)29-16-22-21-11-6-5-10-20(21)14-15-26(22)30-17-23-24(27)12-7-13-25(23)28/h2-15,18,29H,16-17H2,1H3/t18-/m0/s1
InChIKeyAJLDMHAOWQYQIA-SFHVURJKSA-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 (1S)-N-[[2-[(2,6-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

1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446
(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 51997008
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992135
(2S)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenylbutan-2-amine
CID 51992178
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
2-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 66528248
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine (CID 51991944) is (1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine is C[C@H](NCc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12)c1ccccc1.
What is the InChIKey of (1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
The InChIKey is AJLDMHAOWQYQIA-SFHVURJKSA-N. The full InChI is InChI=1S/C26H23Cl2NO/c1-18(19-8-3-2-4-9-19)29-16-22-21-11-6-5-10-20(21)14-15-26(22)30-17-23-24(27)12-7-13-25(23)28/h2-15,18,29H,16-17H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine?
(1S)-N-[[2-[(2,6-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 (1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 51991944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).