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

C14H21N — CID 144849725

IUPACN-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine
SMILESC=Cc1ccc(CN(C)CC(C)C)cc1
InChIInChI=1S/C14H21N/c1-5-13-6-8-14(9-7-13)11-15(4)10-12(2)3/h5-9,12H,1,10-11H2,2-4H3
InChIKeyYMHITMVAYDKCTF-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.42
Rot. Bonds5

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

N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine (PubChem CID 144849725) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine
PubChem CID144849725
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine
SMILESC=Cc1ccc(CN(C)CC(C)C)cc1
InChIInChI=1S/C14H21N/c1-5-13-6-8-14(9-7-13)11-15(4)10-12(2)3/h5-9,12H,1,10-11H2,2-4H3
InChIKeyYMHITMVAYDKCTF-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine (CID 144849725) is N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine is C=Cc1ccc(CN(C)CC(C)C)cc1.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is YMHITMVAYDKCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-13-6-8-14(9-7-13)11-15(4)10-12(2)3/h5-9,12H,1,10-11H2,2-4H3.
What are the key properties of N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine?
N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 144849725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).