N-[(4-ethenylphenyl)methyl]butan-2-amine

C13H19N — CID 90317811

IUPACN-[(4-ethenylphenyl)methyl]butan-2-amine
SMILESC=Cc1ccc(CNC(C)CC)cc1
InChIInChI=1S/C13H19N/c1-4-11(3)14-10-13-8-6-12(5-2)7-9-13/h5-9,11,14H,2,4,10H2,1,3H3
InChIKeyWYQFVZXLGDPIGF-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.22
Rot. Bonds5

About N-[(4-ethenylphenyl)methyl]butan-2-amine

N-[(4-ethenylphenyl)methyl]butan-2-amine (PubChem CID 90317811) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]butan-2-amine
PubChem CID90317811
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(4-ethenylphenyl)methyl]butan-2-amine
SMILESC=Cc1ccc(CNC(C)CC)cc1
InChIInChI=1S/C13H19N/c1-4-11(3)14-10-13-8-6-12(5-2)7-9-13/h5-9,11,14H,2,4,10H2,1,3H3
InChIKeyWYQFVZXLGDPIGF-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride
CID 17291451
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
CID 94682877
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
CID 40649734
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235754
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]butan-2-amine?
The IUPAC name of N-[(4-ethenylphenyl)methyl]butan-2-amine (CID 90317811) is N-[(4-ethenylphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]butan-2-amine is C=Cc1ccc(CNC(C)CC)cc1.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]butan-2-amine?
The InChIKey is WYQFVZXLGDPIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-11(3)14-10-13-8-6-12(5-2)7-9-13/h5-9,11,14H,2,4,10H2,1,3H3.
What are the key properties of N-[(4-ethenylphenyl)methyl]butan-2-amine?
N-[(4-ethenylphenyl)methyl]butan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 90317811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).