N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine

C19H23NO — CID 105163254

IUPACN,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine
SMILESCNC(C=C(C)C)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-15(2)12-19(20-3)17-10-7-11-18(13-17)21-14-16-8-5-4-6-9-16/h4-13,19-20H,14H2,1-3H3
InChIKeyKZEOCMMHQNCWSV-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.49
Rot. Bonds6

About N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine

N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine (PubChem CID 105163254) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine
PubChem CID105163254
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine
SMILESCNC(C=C(C)C)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-15(2)12-19(20-3)17-10-7-11-18(13-17)21-14-16-8-5-4-6-9-16/h4-13,19-20H,14H2,1-3H3
InChIKeyKZEOCMMHQNCWSV-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.49
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-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
4-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
CID 134287880
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
CID 87552555
3-[[3-[methylamino(phenyl)methyl]phenoxy]methyl]benzaldehyde
CID 134357887
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
(3-phenylmethoxyphenyl)-thiophen-2-ylmethanol
CID 2904667
[2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]hydrazine
CID 105305234
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide
CID 118204605

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine?
The IUPAC name of N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine (CID 105163254) is N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine?
The canonical SMILES for N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine is CNC(C=C(C)C)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine?
The InChIKey is KZEOCMMHQNCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(2)12-19(20-3)17-10-7-11-18(13-17)21-14-16-8-5-4-6-9-16/h4-13,19-20H,14H2,1-3H3.
What are the key properties of N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine?
N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(3-phenylmethoxyphenyl)but-2-en-1-amine is sourced from PubChem (CID 105163254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).