4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine

C17H25ClFN — CID 103050990

IUPAC4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C17H25ClFN/c1-2-3-4-13-7-9-17(20,10-8-13)12-14-11-15(18)5-6-16(14)19/h5-6,11,13H,2-4,7-10,12,20H2,1H3
InChIKeyJHBPGTLZYBDVFL-UHFFFAOYSA-N
MW297.84 g/mol
LogP5.10
Rot. Bonds5

About 4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine

4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 103050990) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is 4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
PubChem CID103050990
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC Name4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C17H25ClFN/c1-2-3-4-13-7-9-17(20,10-8-13)12-14-11-15(18)5-6-16(14)19/h5-6,11,13H,2-4,7-10,12,20H2,1H3
InChIKeyJHBPGTLZYBDVFL-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.84
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65318007
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
CID 65020395
4-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 65020505
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 103051053
1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 103047881
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
4-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-2-chloro-1-fluorobenzene
CID 103042014
1-[(4-bromophenyl)methyl]-4-butylcyclohexan-1-amine
CID 65020237
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine (CID 103050990) is 4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine is CCCCC1CCC(N)(Cc2cc(Cl)ccc2F)CC1.
What is the InChIKey of 4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is JHBPGTLZYBDVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-2-3-4-13-7-9-17(20,10-8-13)12-14-11-15(18)5-6-16(14)19/h5-6,11,13H,2-4,7-10,12,20H2,1H3.
What are the key properties of 4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine?
4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 297.84 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 103050990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).