(1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine

C30H34ClNO — CID 27209522

IUPAC(1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
SMILESC[C@H](NCc1c(OCc2ccccc2Cl)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H34ClNO/c1-20(30-15-21-12-22(16-30)14-23(13-21)17-30)32-18-27-26-8-4-2-6-24(26)10-11-29(27)33-19-25-7-3-5-9-28(25)31/h2-11,20-23,32H,12-19H2,1H3/t20-,21?,22?,23?,30?/m0/s1
InChIKeyFKFVOYCSJGMUQP-PWHYTNLZSA-N
MW460.06 g/mol
LogP7.77
Rot. Bonds7

About (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine

(1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine (PubChem CID 27209522) has the molecular formula C30H34ClNO and a molecular weight of 460.06 g/mol. Its IUPAC name is (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
PubChem CID27209522
Molecular FormulaC30H34ClNO
Molecular Weight460.06 g/mol
Exact Mass459.23
IUPAC Name(1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
SMILESC[C@H](NCc1c(OCc2ccccc2Cl)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H34ClNO/c1-20(30-15-21-12-22(16-30)14-23(13-21)17-30)32-18-27-26-8-4-2-6-24(26)10-11-29(27)33-19-25-7-3-5-9-28(25)31/h2-11,20-23,32H,12-19H2,1H3/t20-,21?,22?,23?,30?/m0/s1
InChIKeyFKFVOYCSJGMUQP-PWHYTNLZSA-N
XLogP7.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.06
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine with MolForge

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Related Compounds

(1S)-1-(1-adamantyl)-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 27209609
1-(1-adamantyl)-N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4187923
3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]adamantan-1-ol
CID 17216503
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine
CID 4722236
(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 40726488
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 4717903
(1S)-N-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 51991944
1-(1-adamantyl)-N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4566164
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724097
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207194

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine (CID 27209522) is (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine is C[C@H](NCc1c(OCc2ccccc2Cl)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
The InChIKey is FKFVOYCSJGMUQP-PWHYTNLZSA-N. The full InChI is InChI=1S/C30H34ClNO/c1-20(30-15-21-12-22(16-30)14-23(13-21)17-30)32-18-27-26-8-4-2-6-24(26)10-11-29(27)33-19-25-7-3-5-9-28(25)31/h2-11,20-23,32H,12-19H2,1H3/t20-,21?,22?,23?,30?/m0/s1.
What are the key properties of (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine?
(1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine has a molecular weight of 460.06 g/mol, XLogP of 7.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-adamantyl)-N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine is sourced from PubChem (CID 27209522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).