N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine

C19H25NO — CID 43720331

IUPACN-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-9-19(16-10-6-5-7-11-16)20-15(2)17-12-8-13-18(14-17)21-3/h5-8,10-15,19-20H,4,9H2,1-3H3
InChIKeyZGOCLINEDIQPRG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.89
Rot. Bonds7

About N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine

N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine (PubChem CID 43720331) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
PubChem CID43720331
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-9-19(16-10-6-5-7-11-16)20-15(2)17-12-8-13-18(14-17)21-3/h5-8,10-15,19-20H,4,9H2,1-3H3
InChIKeyZGOCLINEDIQPRG-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81354880
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
CID 81376303
N-[1-(3-methoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226889
N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
CID 81376287
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine (CID 43720331) is N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine is CCCC(NC(C)c1cccc(OC)c1)c1ccccc1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is ZGOCLINEDIQPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-9-19(16-10-6-5-7-11-16)20-15(2)17-12-8-13-18(14-17)21-3/h5-8,10-15,19-20H,4,9H2,1-3H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine?
N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43720331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).