N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine

C14H21N — CID 145011980

IUPACN-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine
SMILESC=CN(CCC)Cc1ccc(CC)cc1
InChIInChI=1S/C14H21N/c1-4-11-15(6-3)12-14-9-7-13(5-2)8-10-14/h6-10H,3-5,11-12H2,1-2H3
InChIKeyBIYOEBOINDWMPH-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.60
Rot. Bonds6

About N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine

N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine (PubChem CID 145011980) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine
PubChem CID145011980
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine
SMILESC=CN(CCC)Cc1ccc(CC)cc1
InChIInChI=1S/C14H21N/c1-4-11-15(6-3)12-14-9-7-13(5-2)8-10-14/h6-10H,3-5,11-12H2,1-2H3
InChIKeyBIYOEBOINDWMPH-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine (CID 145011980) is N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine is C=CN(CCC)Cc1ccc(CC)cc1.
What is the InChIKey of N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine?
The InChIKey is BIYOEBOINDWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-11-15(6-3)12-14-9-7-13(5-2)8-10-14/h6-10H,3-5,11-12H2,1-2H3.
What are the key properties of N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine?
N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 145011980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).