Benzylamine

C7H9N — CID 7504

IUPACphenylmethanamine
SMILESC1=CC=C(C=C1)CN
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeyWGQKYBSKWIADBV-UHFFFAOYSA-N
MW107.15 g/mol
LogP1.10
Rot. Bonds1

About Benzylamine

Benzylamine (PubChem CID 7504) has the molecular formula C7H9N and a molecular weight of 107.15 g/mol. Its IUPAC name is phenylmethanamine.

Molecular Properties

Compound NameBenzylamine
PubChem CID7504
Molecular FormulaC7H9N
Molecular Weight107.15 g/mol
Exact Mass107.07
IUPAC Namephenylmethanamine
SMILESC1=CC=C(C=C1)CN
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeyWGQKYBSKWIADBV-UHFFFAOYSA-N
XLogP1.10
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity55

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.15
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenethylamine
CID 1001
Amphetamine
CID 3007
Dextroamphetamine
CID 5826
1,3-Benzenedimethanamine
CID 15133
1-Phenethylamine
CID 7408
N-Methylbenzylamine
CID 7669
(-)-Amphetamine
CID 32893
N,N-Dimethylbenzylamine
CID 7681
Thiobenzamide
CID 683563
4-Fluorobenzylamine
CID 67326
1,4-Benzenedimethanamine
CID 68315
N-(Phenylmethyl)guanidine
CID 16644

Frequently Asked Questions

What is the IUPAC name of Benzylamine?
The IUPAC name of Benzylamine (CID 7504) is phenylmethanamine.
What is the SMILES notation for Benzylamine?
The canonical SMILES for Benzylamine is C1=CC=C(C=C1)CN.
What is the InChIKey of Benzylamine?
The InChIKey is WGQKYBSKWIADBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2.
What are the key properties of Benzylamine?
Benzylamine has a molecular weight of 107.15 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Benzylamine is sourced from PubChem (CID 7504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).