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

C15H21ClFN — CID 102859004

IUPACN-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C15H21ClFN/c1-14(2,3)18-10-15(7-8-15)9-11-5-4-6-12(16)13(11)17/h4-6,18H,7-10H2,1-3H3
InChIKeyWREBJWVJOBIGGH-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds4

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

N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 102859004) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID102859004
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C15H21ClFN/c1-14(2,3)18-10-15(7-8-15)9-11-5-4-6-12(16)13(11)17/h4-6,18H,7-10H2,1-3H3
InChIKeyWREBJWVJOBIGGH-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
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
1-(3-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 115696036
N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62905045
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103049689
[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)methyl]cyclohexyl]methanol
CID 102863614
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene
CID 102863764
2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63509068

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine (CID 102859004) is N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2cccc(Cl)c2F)CC1.
What is the InChIKey of N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WREBJWVJOBIGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-14(2,3)18-10-15(7-8-15)9-11-5-4-6-12(16)13(11)17/h4-6,18H,7-10H2,1-3H3.
What are the key properties of N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 4 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]-2-methylpropan-2-amine is sourced from PubChem (CID 102859004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).