N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide

C13H14N2O2 — CID 28776681

IUPACN-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CN)c2)o1
InChIInChI=1S/C13H14N2O2/c1-9-5-6-12(17-9)13(16)15-11-4-2-3-10(7-11)8-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyBSPXMTBXXJJVPB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.30
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide

N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide (PubChem CID 28776681) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide
PubChem CID28776681
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CN)c2)o1
InChIInChI=1S/C13H14N2O2/c1-9-5-6-12(17-9)13(16)15-11-4-2-3-10(7-11)8-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyBSPXMTBXXJJVPB-UHFFFAOYSA-N
XLogP2.30
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]methylsulfanyl]acetate
CID 167770282
N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601
5-methyl-N-(3-propoxyphenyl)furan-2-carboxamide
CID 2260679
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82827341
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide
CID 112701135
2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]sulfonylamino]acetic acid
CID 138042642
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
N-(3-cyclopentyloxyphenyl)-5-methylfuran-2-carboxamide
CID 690631

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide (CID 28776681) is N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(CN)c2)o1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is BSPXMTBXXJJVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-5-6-12(17-9)13(16)15-11-4-2-3-10(7-11)8-14/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide?
N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 28776681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).