N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine

C18H21NO — CID 115972576

IUPACN-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine
SMILESC=CC(C)NC(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO/c1-4-14(2)19-18(15-8-6-5-7-9-15)16-10-12-17(20-3)13-11-16/h4-14,18-19H,1H2,2-3H3
InChIKeyFLDCZZYERLRTSO-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.95
Rot. Bonds6

About N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine

N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine (PubChem CID 115972576) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine
PubChem CID115972576
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine
SMILESC=CC(C)NC(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO/c1-4-14(2)19-18(15-8-6-5-7-9-15)16-10-12-17(20-3)13-11-16/h4-14,18-19H,1H2,2-3H3
InChIKeyFLDCZZYERLRTSO-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
N-benzhydryl-4-(4-methoxyphenyl)butan-2-amine
CID 2846404
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
N-but-3-en-2-yl-2-methyl-1-phenylpropan-1-amine
CID 115591753
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43403754
N-[(4-methoxyphenyl)-phenylmethyl]prop-2-yn-1-amine
CID 43235878
2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine (CID 115972576) is N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine is C=CC(C)NC(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine?
The InChIKey is FLDCZZYERLRTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-14(2)19-18(15-8-6-5-7-9-15)16-10-12-17(20-3)13-11-16/h4-14,18-19H,1H2,2-3H3.
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine?
N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]but-3-en-2-amine is sourced from PubChem (CID 115972576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).