(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine

C21H23NO — CID 101003205

IUPAC(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
SMILESCOc1ccccc1[C@H](C)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C21H23NO/c1-15(18-13-8-10-17-9-4-5-12-20(17)18)22-16(2)19-11-6-7-14-21(19)23-3/h4-16,22H,1-3H3/t15-,16+/m1/s1
InChIKeyZQYWFYRPFVMTOB-CVEARBPZSA-N
MW305.42 g/mol
LogP5.26
Rot. Bonds5

About (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine

(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine (PubChem CID 101003205) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
PubChem CID101003205
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
SMILESCOc1ccccc1[C@H](C)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C21H23NO/c1-15(18-13-8-10-17-9-4-5-12-20(17)18)22-16(2)19-11-6-7-14-21(19)23-3/h4-16,22H,1-3H3/t15-,16+/m1/s1
InChIKeyZQYWFYRPFVMTOB-CVEARBPZSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
3-methyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43101275
1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 103906175
1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252
(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-1-pyridin-4-ylethanamine
CID 28666055
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911
N-(2-methoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397269
1-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylethyl)ethanamine
CID 22011088

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine (CID 101003205) is (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine is COc1ccccc1[C@H](C)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine?
The InChIKey is ZQYWFYRPFVMTOB-CVEARBPZSA-N. The full InChI is InChI=1S/C21H23NO/c1-15(18-13-8-10-17-9-4-5-12-20(17)18)22-16(2)19-11-6-7-14-21(19)23-3/h4-16,22H,1-3H3/t15-,16+/m1/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine?
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine has a molecular weight of 305.42 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine is sourced from PubChem (CID 101003205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).