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

C18H18N2O — CID 155545508

IUPACN-[[5-(anilinomethyl)furan-2-yl]methyl]aniline
SMILESc1ccc(NCc2ccc(CNc3ccccc3)o2)cc1
InChIInChI=1S/C18H18N2O/c1-3-7-15(8-4-1)19-13-17-11-12-18(21-17)14-20-16-9-5-2-6-10-16/h1-12,19-20H,13-14H2
InChIKeyCZQWBOAOGQQZHA-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.50
Rot. Bonds6

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

N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline (PubChem CID 155545508) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[5-(anilinomethyl)furan-2-yl]methyl]aniline
PubChem CID155545508
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[[5-(anilinomethyl)furan-2-yl]methyl]aniline
SMILESc1ccc(NCc2ccc(CNc3ccccc3)o2)cc1
InChIInChI=1S/C18H18N2O/c1-3-7-15(8-4-1)19-13-17-11-12-18(21-17)14-20-16-9-5-2-6-10-16/h1-12,19-20H,13-14H2
InChIKeyCZQWBOAOGQQZHA-UHFFFAOYSA-N
XLogP4.50
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)furan-2-yl]methyl]aniline
CID 23130500
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
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
3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol
CID 105472420
5-[[3-(hydroxymethyl)anilino]methyl]furan-2-carboxylic acid
CID 63316697
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
CID 112981834

Frequently Asked Questions

What is the IUPAC name of N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline (CID 155545508) is N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline is c1ccc(NCc2ccc(CNc3ccccc3)o2)cc1.
What is the InChIKey of N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline?
The InChIKey is CZQWBOAOGQQZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-7-15(8-4-1)19-13-17-11-12-18(21-17)14-20-16-9-5-2-6-10-16/h1-12,19-20H,13-14H2.
What are the key properties of N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline?
N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline has a molecular weight of 278.36 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 155545508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).