3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine

C14H21N — CID 107875745

IUPAC3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
SMILESC=CCNCC(c1ccccc1)C(C)C
InChIInChI=1S/C14H21N/c1-4-10-15-11-14(12(2)3)13-8-6-5-7-9-13/h4-9,12,14-15H,1,10-11H2,2-3H3
InChIKeyFTPRCGXXUMHFFF-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.20
Rot. Bonds6

About 3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine

3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine (PubChem CID 107875745) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
PubChem CID107875745
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
SMILESC=CCNCC(c1ccccc1)C(C)C
InChIInChI=1S/C14H21N/c1-4-10-15-11-14(12(2)3)13-8-6-5-7-9-13/h4-9,12,14-15H,1,10-11H2,2-3H3
InChIKeyFTPRCGXXUMHFFF-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-phenyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106425394
1-phenylethanamine;N-prop-2-enylprop-2-en-1-amine
CID 174913202
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
5,5,5-trifluoro-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876331
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777
3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine?
The IUPAC name of 3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine (CID 107875745) is 3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine?
The canonical SMILES for 3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine is C=CCNCC(c1ccccc1)C(C)C.
What is the InChIKey of 3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine?
The InChIKey is FTPRCGXXUMHFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-10-15-11-14(12(2)3)13-8-6-5-7-9-13/h4-9,12,14-15H,1,10-11H2,2-3H3.
What are the key properties of 3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine?
3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine is sourced from PubChem (CID 107875745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).