1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine

C15H21F2N — CID 80605631

IUPAC1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine
SMILESCCNC1(C(F)F)CCC(c2ccccc2)CC1
InChIInChI=1S/C15H21F2N/c1-2-18-15(14(16)17)10-8-13(9-11-15)12-6-4-3-5-7-12/h3-7,13-14,18H,2,8-11H2,1H3
InChIKeyGZZAFXGPZYZIBC-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.96
Rot. Bonds4

About 1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine

1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine (PubChem CID 80605631) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine
PubChem CID80605631
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine
SMILESCCNC1(C(F)F)CCC(c2ccccc2)CC1
InChIInChI=1S/C15H21F2N/c1-2-18-15(14(16)17)10-8-13(9-11-15)12-6-4-3-5-7-12/h3-7,13-14,18H,2,8-11H2,1H3
InChIKeyGZZAFXGPZYZIBC-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropylbenzene;ethylhydrazine
CID 22346635
6-phenylspiro[2.5]octane
CID 123640963
2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol
CID 65235269
N-ethyl-3-phenylbicyclo[3.1.0]hexan-1-amine
CID 69280900
1-(methylaminomethyl)-4-phenylcyclohexan-1-ol
CID 62774871
1-(aminomethyl)-N-methyl-4-phenylcyclohexan-1-amine
CID 62066369
benzene;cyclopropylbenzene
CID 144638417
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
methyl 4-phenyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796895
1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine
CID 102697260
2-(1-methyl-4-phenylcyclohexyl)acetic acid
CID 169408960
(1-anilino-4-phenylcyclohexyl)methanol
CID 61046248

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine?
The IUPAC name of 1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine (CID 80605631) is 1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine is CCNC1(C(F)F)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine?
The InChIKey is GZZAFXGPZYZIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-2-18-15(14(16)17)10-8-13(9-11-15)12-6-4-3-5-7-12/h3-7,13-14,18H,2,8-11H2,1H3.
What are the key properties of 1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine?
1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 80605631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).