N-[[5-(aminomethyl)furan-2-yl]methyl]aniline

C12H14N2O — CID 23130500

IUPACN-[[5-(aminomethyl)furan-2-yl]methyl]aniline
SMILESNCc1ccc(CNc2ccccc2)o1
InChIInChI=1S/C12H14N2O/c13-8-11-6-7-12(15-11)9-14-10-4-2-1-3-5-10/h1-7,14H,8-9,13H2
InChIKeyHXRFCHKXYYBBKZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.35
Rot. Bonds4

About N-[[5-(aminomethyl)furan-2-yl]methyl]aniline

N-[[5-(aminomethyl)furan-2-yl]methyl]aniline (PubChem CID 23130500) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[[5-(aminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[5-(aminomethyl)furan-2-yl]methyl]aniline
PubChem CID23130500
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-[[5-(aminomethyl)furan-2-yl]methyl]aniline
SMILESNCc1ccc(CNc2ccccc2)o1
InChIInChI=1S/C12H14N2O/c13-8-11-6-7-12(15-11)9-14-10-4-2-1-3-5-10/h1-7,14H,8-9,13H2
InChIKeyHXRFCHKXYYBBKZ-UHFFFAOYSA-N
XLogP2.35
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline
CID 155545508
3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol
CID 105472420
5-(anilinomethyl)furan-2-carbaldehyde
CID 131968530
4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
CID 155533033
5-[(4-benzylanilino)methyl]furan-2-carboxylic acid
CID 10018085
N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline
CID 43785167
(5-phenoxyfuran-2-yl)methanamine;hydrochloride
CID 82021880
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
N-[(5-ethylfuran-2-yl)methyl]pyridin-3-amine
CID 62347373
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
CID 163931246
CID 163931246

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]aniline (CID 23130500) is N-[[5-(aminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for N-[[5-(aminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for N-[[5-(aminomethyl)furan-2-yl]methyl]aniline is NCc1ccc(CNc2ccccc2)o1.
What is the InChIKey of N-[[5-(aminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is HXRFCHKXYYBBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-8-11-6-7-12(15-11)9-14-10-4-2-1-3-5-10/h1-7,14H,8-9,13H2.
What are the key properties of N-[[5-(aminomethyl)furan-2-yl]methyl]aniline?
N-[[5-(aminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 202.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 23130500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).