N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine

C16H22F3NO — CID 63511320

IUPACN-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
SMILESCCCNC1CCCCC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-2-10-20-15-9-4-3-8-14(15)12-6-5-7-13(11-12)21-16(17,18)19/h5-7,11,14-15,20H,2-4,8-10H2,1H3
InChIKeyIANFLMGFEVLRDW-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.61
Rot. Bonds5

About N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine

N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine (PubChem CID 63511320) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
PubChem CID63511320
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
SMILESCCCNC1CCCCC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-2-10-20-15-9-4-3-8-14(15)12-6-5-7-13(11-12)21-16(17,18)19/h5-7,11,14-15,20H,2-4,8-10H2,1H3
InChIKeyIANFLMGFEVLRDW-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
CID 107105216
2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
CID 116545566
[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81010948
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine
CID 21260489
2-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylcyclohexan-1-amine
CID 102755798
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64503099
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine?
The IUPAC name of N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine (CID 63511320) is N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine.
What is the SMILES notation for N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine?
The canonical SMILES for N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine is CCCNC1CCCCC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine?
The InChIKey is IANFLMGFEVLRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-10-20-15-9-4-3-8-14(15)12-6-5-7-13(11-12)21-16(17,18)19/h5-7,11,14-15,20H,2-4,8-10H2,1H3.
What are the key properties of N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine?
N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 63511320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).