N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine

C19H25NO — CID 81368068

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
SMILESCOc1ccc([C@H](C)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-15(9-10-17-7-5-4-6-8-17)20-16(2)18-11-13-19(21-3)14-12-18/h4-8,11-16,20H,9-10H2,1-3H3/t15?,16-/m0/s1
InChIKeyOCCRDGYFGKNPSO-LYKKTTPLSA-N
MW283.42 g/mol
LogP4.37
Rot. Bonds7

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine (PubChem CID 81368068) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
PubChem CID81368068
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
SMILESCOc1ccc([C@H](C)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-15(9-10-17-7-5-4-6-8-17)20-16(2)18-11-13-19(21-3)14-12-18/h4-8,11-16,20H,9-10H2,1-3H3/t15?,16-/m0/s1
InChIKeyOCCRDGYFGKNPSO-LYKKTTPLSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81394593
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
CID 2846404
N-[(1S)-1-(4-bromophenyl)ethyl]-4-phenylbutan-2-amine
CID 81359942
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 43776737

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine (CID 81368068) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine is COc1ccc([C@H](C)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine?
The InChIKey is OCCRDGYFGKNPSO-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(9-10-17-7-5-4-6-8-17)20-16(2)18-11-13-19(21-3)14-12-18/h4-8,11-16,20H,9-10H2,1-3H3/t15?,16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 81368068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).