2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide

C14H16N2O — CID 143566228

IUPAC2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide
SMILESNCc1ccc(C2=C(C(N)=O)CCC=C2)cc1
InChIInChI=1S/C14H16N2O/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14(16)17/h1,3,5-8H,2,4,9,15H2,(H2,16,17)
InChIKeyFNPYALKHHBHUCG-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.73
Rot. Bonds3

About 2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide

2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 143566228) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID143566228
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide
SMILESNCc1ccc(C2=C(C(N)=O)CCC=C2)cc1
InChIInChI=1S/C14H16N2O/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14(16)17/h1,3,5-8H,2,4,9,15H2,(H2,16,17)
InChIKeyFNPYALKHHBHUCG-UHFFFAOYSA-N
XLogP1.73
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylcyclohexa-1,5-diene-1-carboxylic acid;phenylmethanamine
CID 143272081
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
ethyl 2-(2-chloropyrimidin-5-yl)cyclohexa-1,3-diene-1-carboxylate
CID 139893436
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294
4-(aminomethyl)benzenecarbothioic S-acid
CID 86120927
[3-[4-(aminomethyl)phenyl]phenyl]urea
CID 141415129
bis[4-[4-(aminomethyl)phenyl]phenyl] carbonate
CID 140708041
8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 90178332
6-[4-(aminomethyl)phenyl]naphthalene-2-carboxylic acid
CID 86081762
[4-(aminomethyl)phenyl]methanamine;tetrachlorostannane
CID 175880044
4-[4-(aminomethyl)phenyl]-2-methylbutanamide
CID 175316753
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide (CID 143566228) is 2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide is NCc1ccc(C2=C(C(N)=O)CCC=C2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is FNPYALKHHBHUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14(16)17/h1,3,5-8H,2,4,9,15H2,(H2,16,17).
What are the key properties of 2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide?
2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 143566228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).