1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine

C15H21ClFN — CID 103042334

IUPAC1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFN/c1-18-10-13-5-3-2-4-12(13)8-11-6-7-15(17)14(16)9-11/h6-7,9,12-13,18H,2-5,8,10H2,1H3
InChIKeyXJSDSJPWOOYRDW-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.05
Rot. Bonds4

About 1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine

1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine (PubChem CID 103042334) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
PubChem CID103042334
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCCCC1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFN/c1-18-10-13-5-3-2-4-12(13)8-11-6-7-15(17)14(16)9-11/h6-7,9,12-13,18H,2-5,8,10H2,1H3
InChIKeyXJSDSJPWOOYRDW-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 103042344
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103042336
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 103042330
1-[2-[(4-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032819
3-[(3-chloro-4-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 103041667
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 107889373
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 107889369
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 103042349
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286
1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 82934724

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine (CID 103042334) is 1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine is CNCC1CCCCC1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is XJSDSJPWOOYRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-18-10-13-5-3-2-4-12(13)8-11-6-7-15(17)14(16)9-11/h6-7,9,12-13,18H,2-5,8,10H2,1H3.
What are the key properties of 1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 269.79 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 103042334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).