N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine

C13H19N — CID 90317414

IUPACN-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine
SMILESC=Cc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C13H19N/c1-4-12-5-7-13(8-6-12)10-14-9-11(2)3/h4-8,11,14H,1,9-10H2,2-3H3
InChIKeyMKOPFYFEXFFIRH-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.08
Rot. Bonds5

About N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine

N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 90317414) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine
PubChem CID90317414
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine
SMILESC=Cc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C13H19N/c1-4-12-5-7-13(8-6-12)10-14-9-11(2)3/h4-8,11,14H,1,9-10H2,2-3H3
InChIKeyMKOPFYFEXFFIRH-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235754
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
N-[(4-ethenylphenyl)methyl]butan-2-amine
CID 90317811
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437435
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
2-methyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 112722137
2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 63808063
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine (CID 90317414) is N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine is C=Cc1ccc(CNCC(C)C)cc1.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is MKOPFYFEXFFIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-12-5-7-13(8-6-12)10-14-9-11(2)3/h4-8,11,14H,1,9-10H2,2-3H3.
What are the key properties of N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine?
N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.08, 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]-2-methylpropan-1-amine is sourced from PubChem (CID 90317414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).