N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine

C17H20ClNO — CID 83183192

IUPACN-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine
SMILESClc1cccc(CC(CNC2CC2)Cc2ccoc2)c1
InChIInChI=1S/C17H20ClNO/c18-16-3-1-2-13(10-16)8-15(11-19-17-4-5-17)9-14-6-7-20-12-14/h1-3,6-7,10,12,15,17,19H,4-5,8-9,11H2
InChIKeyYSRDUHPGRPNGRQ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.09
Rot. Bonds7

About N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine

N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine (PubChem CID 83183192) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine
PubChem CID83183192
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine
SMILESClc1cccc(CC(CNC2CC2)Cc2ccoc2)c1
InChIInChI=1S/C17H20ClNO/c18-16-3-1-2-13(10-16)8-15(11-19-17-4-5-17)9-14-6-7-20-12-14/h1-3,6-7,10,12,15,17,19H,4-5,8-9,11H2
InChIKeyYSRDUHPGRPNGRQ-UHFFFAOYSA-N
XLogP4.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine
CID 113361839
N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63521924
N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
CID 106705939
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
CID 83182710
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine
CID 62998866
(2R,3S)-3-amino-4-(3-chlorophenyl)-1-(oxan-4-ylamino)butan-2-ol
CID 161499229
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one
CID 25396302
N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
CID 63521195
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine (CID 83183192) is N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine is Clc1cccc(CC(CNC2CC2)Cc2ccoc2)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine?
The InChIKey is YSRDUHPGRPNGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c18-16-3-1-2-13(10-16)8-15(11-19-17-4-5-17)9-14-6-7-20-12-14/h1-3,6-7,10,12,15,17,19H,4-5,8-9,11H2.
What are the key properties of N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine?
N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine has a molecular weight of 289.81 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 83183192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).