N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine

C14H19ClFN — CID 102859001

IUPACN-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C14H19ClFN/c1-10(2)17-9-14(6-7-14)8-11-4-3-5-12(15)13(11)16/h3-5,10,17H,6-9H2,1-2H3
InChIKeyHCCVRXVSVJLFML-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.80
Rot. Bonds5

About N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 102859001) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
PubChem CID102859001
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C14H19ClFN/c1-10(2)17-9-14(6-7-14)8-11-4-3-5-12(15)13(11)16/h3-5,10,17H,6-9H2,1-2H3
InChIKeyHCCVRXVSVJLFML-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 102859004
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 102858970
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 102858764
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 103049761
N-[[1-[(2-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025115
N-[[3-[(2-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-2-amine
CID 115984266
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
1-(3-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 115696036
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene
CID 102863764

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine (CID 102859001) is N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(Cc2cccc(Cl)c2F)CC1.
What is the InChIKey of N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is HCCVRXVSVJLFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10(2)17-9-14(6-7-14)8-11-4-3-5-12(15)13(11)16/h3-5,10,17H,6-9H2,1-2H3.
What are the key properties of N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 255.76 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 102859001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).