4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine

C14H19ClFNO — CID 103046492

IUPAC4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OCc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C14H19ClFNO/c1-17-12-3-5-13(6-4-12)18-9-10-8-11(15)2-7-14(10)16/h2,7-8,12-13,17H,3-6,9H2,1H3
InChIKeyCRTQLNHMQFNSQF-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.53
Rot. Bonds4

About 4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine

4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine (PubChem CID 103046492) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
PubChem CID103046492
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(OCc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C14H19ClFNO/c1-17-12-3-5-13(6-4-12)18-9-10-8-11(15)2-7-14(10)16/h2,7-8,12-13,17H,3-6,9H2,1H3
InChIKeyCRTQLNHMQFNSQF-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-4-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine
CID 103037922
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197
3-[(5-chloro-2-fluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 103050496
5-[(5-chloro-2-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683270
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005
2-[(5-chloro-2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103047204
N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457974
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
3-[(4-aminocyclohexyl)oxymethyl]-4-fluorobenzamide
CID 62807937
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine (CID 103046492) is 4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine is CNC1CCC(OCc2cc(Cl)ccc2F)CC1.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
The InChIKey is CRTQLNHMQFNSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-17-12-3-5-13(6-4-12)18-9-10-8-11(15)2-7-14(10)16/h2,7-8,12-13,17H,3-6,9H2,1H3.
What are the key properties of 4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine?
4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine has a molecular weight of 271.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)methoxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 103046492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).