1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine

C14H17ClFN — CID 113321743

IUPAC1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
SMILESFc1ccc(CNCC2(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C14H17ClFN/c15-13-7-12(16)4-1-10(13)8-17-9-14(5-6-14)11-2-3-11/h1,4,7,11,17H,2-3,5-6,8-9H2
InChIKeyMTKMHQOULPXDJD-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.76
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine

1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine (PubChem CID 113321743) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
PubChem CID113321743
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
SMILESFc1ccc(CNCC2(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C14H17ClFN/c15-13-7-12(16)4-1-10(13)8-17-9-14(5-6-14)11-2-3-11/h1,4,7,11,17H,2-3,5-6,8-9H2
InChIKeyMTKMHQOULPXDJD-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416512
N-[(2-chloro-4-fluorophenyl)methyl]-3-cyclopropylpropan-1-amine
CID 115732538
N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine
CID 114095565
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
N-[(2-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 61040054
N-[(2-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 28563338
N-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365244
N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 103838628
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,5-difluorophenyl)methanamine
CID 114757613
N-[(2-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60697863

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine (CID 113321743) is 1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine is Fc1ccc(CNCC2(C3CC3)CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine?
The InChIKey is MTKMHQOULPXDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN/c15-13-7-12(16)4-1-10(13)8-17-9-14(5-6-14)11-2-3-11/h1,4,7,11,17H,2-3,5-6,8-9H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine?
1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine has a molecular weight of 253.75 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 113321743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).