1,4-Benzenedimethanamine

C8H12N2 — CID 68315

IUPAC[4-(aminomethyl)phenyl]methanamine
SMILESC1=CC(=CC=C1CN)CN
InChIInChI=1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2
InChIKeyISKQADXMHQSTHK-UHFFFAOYSA-N
MW136.19 g/mol
LogP-0.40
Rot. Bonds2

About 1,4-Benzenedimethanamine

1,4-Benzenedimethanamine (PubChem CID 68315) has the molecular formula C8H12N2 and a molecular weight of 136.19 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]methanamine.

Molecular Properties

Compound Name1,4-Benzenedimethanamine
PubChem CID68315
Molecular FormulaC8H12N2
Molecular Weight136.19 g/mol
Exact Mass136.10
IUPAC Name[4-(aminomethyl)phenyl]methanamine
SMILESC1=CC(=CC=C1CN)CN
InChIInChI=1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2
InChIKeyISKQADXMHQSTHK-UHFFFAOYSA-N
XLogP-0.40
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity73

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phenethylamine
CID 1001
Amphetamine
CID 3007
Dextroamphetamine
CID 5826
Benzylamine
CID 7504
1,3-Benzenedimethanamine
CID 15133
1-Phenethylamine
CID 7408
N-Methylbenzylamine
CID 7669
(-)-Amphetamine
CID 32893
4-Fluorobenzylamine
CID 67326
N-(Phenylmethyl)guanidine
CID 16644
3-Phenylpropylamine
CID 16259
1-Phenethylamine, (-)-
CID 75818

Frequently Asked Questions

What is the IUPAC name of 1,4-Benzenedimethanamine?
The IUPAC name of 1,4-Benzenedimethanamine (CID 68315) is [4-(aminomethyl)phenyl]methanamine.
What is the SMILES notation for 1,4-Benzenedimethanamine?
The canonical SMILES for 1,4-Benzenedimethanamine is C1=CC(=CC=C1CN)CN.
What is the InChIKey of 1,4-Benzenedimethanamine?
The InChIKey is ISKQADXMHQSTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2.
What are the key properties of 1,4-Benzenedimethanamine?
1,4-Benzenedimethanamine has a molecular weight of 136.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-Benzenedimethanamine is sourced from PubChem (CID 68315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).