N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine

C18H19NO — CID 24939019

IUPACN-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine
SMILESC=C=CC(NCc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H19NO/c1-3-7-18(16-8-5-4-6-9-16)19-14-15-10-12-17(20-2)13-11-15/h4-13,18-19H,1,14H2,2H3
InChIKeyMPAWYWHXKKBPQT-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.87
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine

N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine (PubChem CID 24939019) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine
PubChem CID24939019
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine
SMILESC=C=CC(NCc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H19NO/c1-3-7-18(16-8-5-4-6-9-16)19-14-15-10-12-17(20-2)13-11-15/h4-13,18-19H,1,14H2,2H3
InChIKeyMPAWYWHXKKBPQT-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 67841656
(1R)-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylbut-3-en-1-amine
CID 135000197
(2R)-2-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propan-2-ylacetamide
CID 94640724
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
(1R,2R)-N-diphenylphosphoryl-N'-[(4-methoxyphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 163522190
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202
N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide
CID 44902136
(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine (CID 24939019) is N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine is C=C=CC(NCc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine?
The InChIKey is MPAWYWHXKKBPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-7-18(16-8-5-4-6-9-16)19-14-15-10-12-17(20-2)13-11-15/h4-13,18-19H,1,14H2,2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine?
N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-phenylbuta-2,3-dien-1-amine is sourced from PubChem (CID 24939019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).