(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

C19H25NO — CID 81354278

IUPAC(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NC(C)c2cc(C)ccc2C)c1
InChIInChI=1S/C19H25NO/c1-13-9-10-14(2)19(11-13)16(4)20-15(3)17-7-6-8-18(12-17)21-5/h6-12,15-16,20H,1-5H3/t15-,16?/m0/s1
InChIKeyXSBOGLHKAYJILO-VYRBHSGPSA-N
MW283.42 g/mol
LogP4.72
Rot. Bonds5

About (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 81354278) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID81354278
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NC(C)c2cc(C)ccc2C)c1
InChIInChI=1S/C19H25NO/c1-13-9-10-14(2)19(11-13)16(4)20-15(3)17-7-6-8-18(12-17)21-5/h6-12,15-16,20H,1-5H3/t15-,16?/m0/s1
InChIKeyXSBOGLHKAYJILO-VYRBHSGPSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447
(1R)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382610
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43483809
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344166
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
(1R)-1-(3-bromophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81371308

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (CID 81354278) is (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@H](C)NC(C)c2cc(C)ccc2C)c1.
What is the InChIKey of (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is XSBOGLHKAYJILO-VYRBHSGPSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-9-10-14(2)19(11-13)16(4)20-15(3)17-7-6-8-18(12-17)21-5/h6-12,15-16,20H,1-5H3/t15-,16?/m0/s1.
What are the key properties of (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
(1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81354278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).