N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine

C17H25ClFN — CID 114858583

IUPACN-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(Cl)cc2F)CCCCC1
InChIInChI=1S/C17H25ClFN/c1-13(2)20-12-17(8-4-3-5-9-17)11-14-6-7-15(18)10-16(14)19/h6-7,10,13,20H,3-5,8-9,11-12H2,1-2H3
InChIKeyUQBMWBFLMBWXFH-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.97
Rot. Bonds5

About N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine

N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 114858583) has the molecular formula C17H25ClFN and a molecular weight of 297.85 g/mol. Its IUPAC name is N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID114858583
Molecular FormulaC17H25ClFN
Molecular Weight297.85 g/mol
Exact Mass297.17
IUPAC NameN-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(Cl)cc2F)CCCCC1
InChIInChI=1S/C17H25ClFN/c1-13(2)20-12-17(8-4-3-5-9-17)11-14-6-7-15(18)10-16(14)19/h6-7,10,13,20H,3-5,8-9,11-12H2,1-2H3
InChIKeyUQBMWBFLMBWXFH-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 103049761
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566
4-chloro-1-[[1-(chloromethyl)cyclopentyl]methyl]-2-fluorobenzene
CID 114861894
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66025564
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103049689
N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 113471460
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
2-[(4-chloro-2-fluorophenyl)methyl]-2-ethylazepane
CID 114856386
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62726185

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine (CID 114858583) is N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(Cc2ccc(Cl)cc2F)CCCCC1.
What is the InChIKey of N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is UQBMWBFLMBWXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-13(2)20-12-17(8-4-3-5-9-17)11-14-6-7-15(18)10-16(14)19/h6-7,10,13,20H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine?
N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 297.85 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 114858583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).