phenylmethanamine

C14H18N2 — CID 19864074

IUPACphenylmethanamine
SMILESNCc1ccccc1.NCc1ccccc1
InChIInChI=1S/2C7H9N/c2*8-6-7-4-2-1-3-5-7/h2*1-5H,6,8H2
InChIKeyWSJJUZNTRZTWIN-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.29
Rot. Bonds2

About phenylmethanamine

phenylmethanamine (PubChem CID 19864074) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is phenylmethanamine.

Molecular Properties

Compound Namephenylmethanamine
PubChem CID19864074
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Namephenylmethanamine
SMILESNCc1ccccc1.NCc1ccccc1
InChIInChI=1S/2C7H9N/c2*8-6-7-4-2-1-3-5-7/h2*1-5H,6,8H2
InChIKeyWSJJUZNTRZTWIN-UHFFFAOYSA-N
XLogP2.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;titanium(2+)
CID 21287655
phenylmethanamine;dodecahydrobromide
CID 175510511
sodium phenylmethanamine
CID 172793696
CID 174688914
CID 174688914
ethane;phenylmethanamine;vanadium
CID 158602574
difluoromethane;phenylmethanamine
CID 156875485
oxygen(2-);phenylmethanamine;vanadium;hydroxide
CID 11715324
2,2-dimethylpropane;phenylmethanamine
CID 158787980
dibromolead;phenylmethanamine
CID 175060358
carbon dioxide;phenylmethanamine
CID 123245363
phenylmethanamine;tetramethylazanium;hydroxide
CID 174471017

Frequently Asked Questions

What is the IUPAC name of phenylmethanamine?
The IUPAC name of phenylmethanamine (CID 19864074) is phenylmethanamine.
What is the SMILES notation for phenylmethanamine?
The canonical SMILES for phenylmethanamine is NCc1ccccc1.NCc1ccccc1.
What is the InChIKey of phenylmethanamine?
The InChIKey is WSJJUZNTRZTWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N/c2*8-6-7-4-2-1-3-5-7/h2*1-5H,6,8H2.
What are the key properties of phenylmethanamine?
phenylmethanamine has a molecular weight of 214.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanamine is sourced from PubChem (CID 19864074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).