1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine

C16H18ClNO — CID 43178065

IUPAC1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
SMILESCC1CC1c1ccc(CNCc2ccccc2Cl)o1
InChIInChI=1S/C16H18ClNO/c1-11-8-14(11)16-7-6-13(19-16)10-18-9-12-4-2-3-5-15(12)17/h2-7,11,14,18H,8-10H2,1H3
InChIKeyHZYXXFASANZRJL-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.35
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine

1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine (PubChem CID 43178065) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
PubChem CID43178065
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
SMILESCC1CC1c1ccc(CNCc2ccccc2Cl)o1
InChIInChI=1S/C16H18ClNO/c1-11-8-14(11)16-7-6-13(19-16)10-18-9-12-4-2-3-5-15(12)17/h2-7,11,14,18H,8-10H2,1H3
InChIKeyHZYXXFASANZRJL-UHFFFAOYSA-N
XLogP4.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 65468961
2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol
CID 111457754
(1R)-1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81377243
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
CID 60658982
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanenitrile
CID 43183176
5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242812
2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 115584728
4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine
CID 60744499
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
N-[(1-methylcyclobutyl)methyl]-1-[5-(2-methylcyclopropyl)furan-2-yl]methanamine
CID 103735997

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine (CID 43178065) is 1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine is CC1CC1c1ccc(CNCc2ccccc2Cl)o1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine?
The InChIKey is HZYXXFASANZRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-8-14(11)16-7-6-13(19-16)10-18-9-12-4-2-3-5-15(12)17/h2-7,11,14,18H,8-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine?
1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine has a molecular weight of 275.78 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine is sourced from PubChem (CID 43178065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).