N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide

C14H16N2O2 — CID 54936164

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)c1ccc(CN)cc1
InChIInChI=1S/C14H16N2O2/c1-10(12-4-2-11(8-15)3-5-12)16-14(17)13-6-7-18-9-13/h2-7,9-10H,8,15H2,1H3,(H,16,17)
InChIKeyHNKJNVQQNPENEJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.23
Rot. Bonds4

About N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide

N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide (PubChem CID 54936164) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
PubChem CID54936164
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)c1ccc(CN)cc1
InChIInChI=1S/C14H16N2O2/c1-10(12-4-2-11(8-15)3-5-12)16-14(17)13-6-7-18-9-13/h2-7,9-10H,8,15H2,1H3,(H,16,17)
InChIKeyHNKJNVQQNPENEJ-UHFFFAOYSA-N
XLogP2.23
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005
N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 37354271
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 39991415
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
CID 60917725
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111
N-(1-aminopentan-3-yl)furan-3-carboxamide
CID 62653057
N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride
CID 119587685
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[1-[4-(aminomethyl)phenyl]ethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668920

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide (CID 54936164) is N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)c1ccc(CN)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide?
The InChIKey is HNKJNVQQNPENEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(12-4-2-11(8-15)3-5-12)16-14(17)13-6-7-18-9-13/h2-7,9-10H,8,15H2,1H3,(H,16,17).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide?
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 54936164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).