N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine

C17H21ClFN — CID 107897555

IUPACN-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
SMILESFc1cc(CC2(CNC3CC3)CC3CC3C2)ccc1Cl
InChIInChI=1S/C17H21ClFN/c18-15-4-1-11(5-16(15)19)7-17(10-20-14-2-3-14)8-12-6-13(12)9-17/h1,4-5,12-14,20H,2-3,6-10H2
InChIKeyUKIRHGCGTFMBDY-UHFFFAOYSA-N
MW293.81 g/mol
LogP4.19
Rot. Bonds5

About N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine

N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine (PubChem CID 107897555) has the molecular formula C17H21ClFN and a molecular weight of 293.81 g/mol. Its IUPAC name is N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
PubChem CID107897555
Molecular FormulaC17H21ClFN
Molecular Weight293.81 g/mol
Exact Mass293.13
IUPAC NameN-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
SMILESFc1cc(CC2(CNC3CC3)CC3CC3C2)ccc1Cl
InChIInChI=1S/C17H21ClFN/c18-15-4-1-11(5-16(15)19)7-17(10-20-14-2-3-14)8-12-6-13(12)9-17/h1,4-5,12-14,20H,2-3,6-10H2
InChIKeyUKIRHGCGTFMBDY-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 114013906
N-[[3-[(2-chloro-5-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 102619984
N-[[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 107897466
3-[(3-chloro-4-fluorophenyl)methyl]-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 103042099
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropylpropane-1,3-diamine
CID 114024463
3-chloro-N-[(4-chloro-3-fluorophenyl)methyl]cyclobutan-1-amine
CID 107887459
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 82930846
N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454462
N-[(4-chloro-3-fluorophenyl)methyl]-1-oxothian-4-amine
CID 113479791
1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107889043
[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 107898531
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 107889373

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine (CID 107897555) is N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine is Fc1cc(CC2(CNC3CC3)CC3CC3C2)ccc1Cl.
What is the InChIKey of N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The InChIKey is UKIRHGCGTFMBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN/c18-15-4-1-11(5-16(15)19)7-17(10-20-14-2-3-14)8-12-6-13(12)9-17/h1,4-5,12-14,20H,2-3,6-10H2.
What are the key properties of N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine has a molecular weight of 293.81 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine is sourced from PubChem (CID 107897555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).