1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine

C15H19ClFN — CID 114095532

IUPAC1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1(C2CC2)CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFN/c1-10(11-2-5-14(17)13(16)8-11)18-9-15(6-7-15)12-3-4-12/h2,5,8,10,12,18H,3-4,6-7,9H2,1H3
InChIKeyMUEFICNTFOLICX-UHFFFAOYSA-N
MW267.77 g/mol
LogP4.32
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine

1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine (PubChem CID 114095532) has the molecular formula C15H19ClFN and a molecular weight of 267.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine
PubChem CID114095532
Molecular FormulaC15H19ClFN
Molecular Weight267.77 g/mol
Exact Mass267.12
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1(C2CC2)CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFN/c1-10(11-2-5-14(17)13(16)8-11)18-9-15(6-7-15)12-3-4-12/h2,5,8,10,12,18H,3-4,6-7,9H2,1H3
InChIKeyMUEFICNTFOLICX-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.77
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 103904137
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 114095465
4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline
CID 103904163
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-cyclopropylpropan-1-amine
CID 115638957
1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 79394985
1-(3-chloro-4-fluorophenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80594883
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 114107390
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine (CID 114095532) is 1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine is CC(NCC1(C2CC2)CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine?
The InChIKey is MUEFICNTFOLICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN/c1-10(11-2-5-14(17)13(16)8-11)18-9-15(6-7-15)12-3-4-12/h2,5,8,10,12,18H,3-4,6-7,9H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine?
1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine has a molecular weight of 267.77 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 114095532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).