3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline

C14H18N2O — CID 83962080

IUPAC3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline
SMILESNCc1cccc(NCCCc2ccco2)c1
InChIInChI=1S/C14H18N2O/c15-11-12-4-1-5-13(10-12)16-8-2-6-14-7-3-9-17-14/h1,3-5,7,9-10,16H,2,6,8,11,15H2
InChIKeyMGHDMGAWTHJRLN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.78
Rot. Bonds6

About 3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline

3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline (PubChem CID 83962080) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline
PubChem CID83962080
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline
SMILESNCc1cccc(NCCCc2ccco2)c1
InChIInChI=1S/C14H18N2O/c15-11-12-4-1-5-13(10-12)16-8-2-6-14-7-3-9-17-14/h1,3-5,7,9-10,16H,2,6,8,11,15H2
InChIKeyMGHDMGAWTHJRLN-UHFFFAOYSA-N
XLogP2.78
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 83960475
3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 61469743
1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
CID 61472657
N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
CID 71444012
4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline
CID 83963022
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
2-[3-(4-aminobutylamino)phenyl]ethanol
CID 83963103
1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 54886109
4-(aminomethyl)-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106996804
[3-(aminomethyl)anilino]methanesulfinic acid
CID 174465749
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
CID 105488137

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline?
The IUPAC name of 3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline (CID 83962080) is 3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline?
The canonical SMILES for 3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline is NCc1cccc(NCCCc2ccco2)c1.
What is the InChIKey of 3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline?
The InChIKey is MGHDMGAWTHJRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-11-12-4-1-5-13(10-12)16-8-2-6-14-7-3-9-17-14/h1,3-5,7,9-10,16H,2,6,8,11,15H2.
What are the key properties of 3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline?
3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline has a molecular weight of 230.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline is sourced from PubChem (CID 83962080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).