1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine

C17H25F2NO — CID 63478547

IUPAC1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCC(NCc1ccc(OC(F)F)cc1)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-2-16(14-6-4-3-5-7-14)20-12-13-8-10-15(11-9-13)21-17(18)19/h8-11,14,16-17,20H,2-7,12H2,1H3
InChIKeyKSEARISNLYKWJF-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.74
Rot. Bonds7

About 1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine

1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 63478547) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID63478547
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCC(NCc1ccc(OC(F)F)cc1)C1CCCCC1
InChIInChI=1S/C17H25F2NO/c1-2-16(14-6-4-3-5-7-14)20-12-13-8-10-15(11-9-13)21-17(18)19/h8-11,14,16-17,20H,2-7,12H2,1H3
InChIKeyKSEARISNLYKWJF-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
CID 63478195
1-cyclohexyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437768
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
CID 62405202
N-(2-amino-1-cyclohexylethyl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119590309
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
CID 43177714
1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine
CID 62405925
(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 81389655
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
CID 115691377
N-[[4-(difluoromethoxy)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434892
N-[[4-(difluoromethoxy)phenyl]methyl]hex-5-yn-3-amine
CID 115654929
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine (CID 63478547) is 1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine is CCC(NCc1ccc(OC(F)F)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is KSEARISNLYKWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-2-16(14-6-4-3-5-7-14)20-12-13-8-10-15(11-9-13)21-17(18)19/h8-11,14,16-17,20H,2-7,12H2,1H3.
What are the key properties of 1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine?
1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[4-(difluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63478547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).