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

C19H25NO — CID 7445911

IUPAC(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
SMILESCOc1ccc(CCN[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-16(8-9-17-6-4-3-5-7-17)20-15-14-18-10-12-19(21-2)13-11-18/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3/t16-/m1/s1
InChIKeyVFISIZGLIAYTMM-MRXNPFEDSA-N
MW283.42 g/mol
LogP3.85
Rot. Bonds8

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

(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine (PubChem CID 7445911) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
PubChem CID7445911
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
SMILESCOc1ccc(CCN[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-16(8-9-17-6-4-3-5-7-17)20-15-14-18-10-12-19(21-2)13-11-18/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3/t16-/m1/s1
InChIKeyVFISIZGLIAYTMM-MRXNPFEDSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259
4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine
CID 115720927
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine?
The IUPAC name of (2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine (CID 7445911) is (2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine.
What is the SMILES notation for (2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine?
The canonical SMILES for (2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine is COc1ccc(CCN[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of (2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine?
The InChIKey is VFISIZGLIAYTMM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(8-9-17-6-4-3-5-7-17)20-15-14-18-10-12-19(21-2)13-11-18/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine?
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 7445911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).