2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine

C16H23ClFN — CID 102856547

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-2-10-19-15-9-4-3-6-12(15)11-13-7-5-8-14(17)16(13)18/h5,7-8,12,15,19H,2-4,6,9-11H2,1H3
InChIKeyMOYCMGVKEZSTMJ-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.58
Rot. Bonds5

About 2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine

2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 102856547) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
PubChem CID102856547
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFN/c1-2-10-19-15-9-4-3-6-12(15)11-13-7-5-8-14(17)16(13)18/h5,7-8,12,15,19H,2-4,6,9-11H2,1H3
InChIKeyMOYCMGVKEZSTMJ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
N-[[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102864466
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
2-[(2,6-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 114930724
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 102856558
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102864464
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 102864397
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 104792652
N-[[2-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028870

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine (CID 102856547) is 2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is MOYCMGVKEZSTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-2-10-19-15-9-4-3-6-12(15)11-13-7-5-8-14(17)16(13)18/h5,7-8,12,15,19H,2-4,6,9-11H2,1H3.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine?
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 102856547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).