N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine

C19H23NO — CID 118344224

IUPACN,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
SMILESCC(C=Cc1ccc(OCc2ccccc2)cc1)N(C)C
InChIInChI=1S/C19H23NO/c1-16(20(2)3)9-10-17-11-13-19(14-12-17)21-15-18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3
InChIKeyIPVWNEMQVAENCX-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.23
Rot. Bonds6

About N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine

N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine (PubChem CID 118344224) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
PubChem CID118344224
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
SMILESCC(C=Cc1ccc(OCc2ccccc2)cc1)N(C)C
InChIInChI=1S/C19H23NO/c1-16(20(2)3)9-10-17-11-13-19(14-12-17)21-15-18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3
InChIKeyIPVWNEMQVAENCX-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol
CID 70426552
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 123614414
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
tributyl-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]stannane
CID 25214897
(2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid
CID 122037396
3-methyl-2-[(4-phenylmethoxyphenyl)methylidene]butanal
CID 79323761
(2R)-3-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]butanoic acid
CID 122124269
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 83932925

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine?
The IUPAC name of N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine (CID 118344224) is N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine?
The canonical SMILES for N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine is CC(C=Cc1ccc(OCc2ccccc2)cc1)N(C)C.
What is the InChIKey of N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine?
The InChIKey is IPVWNEMQVAENCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-16(20(2)3)9-10-17-11-13-19(14-12-17)21-15-18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine?
N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine has a molecular weight of 281.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine is sourced from PubChem (CID 118344224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).