N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine

C11H14FN — CID 142074645

IUPACN-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1ccc(C)cc1F
InChIInChI=1S/C11H14FN/c1-8(2)13-7-10-5-4-9(3)6-11(10)12/h4-6,13H,1,7H2,2-3H3
InChIKeyASDDHYAMEMNLDE-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.76
Rot. Bonds3

About N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine

N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine (PubChem CID 142074645) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine
PubChem CID142074645
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC NameN-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1ccc(C)cc1F
InChIInChI=1S/C11H14FN/c1-8(2)13-7-10-5-4-9(3)6-11(10)12/h4-6,13H,1,7H2,2-3H3
InChIKeyASDDHYAMEMNLDE-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine?
The IUPAC name of N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine (CID 142074645) is N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine.
What is the SMILES notation for N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine?
The canonical SMILES for N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine is C=C(C)NCc1ccc(C)cc1F.
What is the InChIKey of N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine?
The InChIKey is ASDDHYAMEMNLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8(2)13-7-10-5-4-9(3)6-11(10)12/h4-6,13H,1,7H2,2-3H3.
What are the key properties of N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine?
N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine has a molecular weight of 179.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methylphenyl)methyl]prop-1-en-2-amine is sourced from PubChem (CID 142074645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).