(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine

C21H29NO2 — CID 51989816

IUPAC(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
SMILESCOc1cc(CN[C@H](C)CCc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C21H29NO2/c1-16(2)24-20-13-12-19(14-21(20)23-4)15-22-17(3)10-11-18-8-6-5-7-9-18/h5-9,12-14,16-17,22H,10-11,15H2,1-4H3/t17-/m1/s1
InChIKeyLQOQMROTLXADIV-QGZVFWFLSA-N
MW327.47 g/mol
LogP4.59
Rot. Bonds9

About (2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine

(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine (PubChem CID 51989816) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
PubChem CID51989816
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
SMILESCOc1cc(CN[C@H](C)CCc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C21H29NO2/c1-16(2)24-20-13-12-19(14-21(20)23-4)15-22-17(3)10-11-18-8-6-5-7-9-18/h5-9,12-14,16-17,22H,10-11,15H2,1-4H3/t17-/m1/s1
InChIKeyLQOQMROTLXADIV-QGZVFWFLSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 39422750
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211095
N-[(4-methoxy-3-nitrophenyl)methyl]-4-phenylbutan-2-amine
CID 119126436
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211278
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211280
4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
CID 119122211
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211311
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623081
(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide
CID 142673511
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 17211464

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of (2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine (CID 51989816) is (2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for (2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for (2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine is COc1cc(CN[C@H](C)CCc2ccccc2)ccc1OC(C)C.
What is the InChIKey of (2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine?
The InChIKey is LQOQMROTLXADIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29NO2/c1-16(2)24-20-13-12-19(14-21(20)23-4)15-22-17(3)10-11-18-8-6-5-7-9-18/h5-9,12-14,16-17,22H,10-11,15H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine?
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine has a molecular weight of 327.47 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 51989816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).