N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C18H27F2N — CID 103965604

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCc2cccc(C(F)F)c2)CC(C)(C)C1
InChIInChI=1S/C18H27F2N/c1-17(2)9-15(10-18(3,4)12-17)21-11-13-6-5-7-14(8-13)16(19)20/h5-8,15-16,21H,9-12H2,1-4H3
InChIKeyRTLDMQQFMRACNK-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.32
Rot. Bonds4

About N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103965604) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103965604
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCc2cccc(C(F)F)c2)CC(C)(C)C1
InChIInChI=1S/C18H27F2N/c1-17(2)9-15(10-18(3,4)12-17)21-11-13-6-5-7-14(8-13)16(19)20/h5-8,15-16,21H,9-12H2,1-4H3
InChIKeyRTLDMQQFMRACNK-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965603
N-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112681857
2-fluoro-4-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 107685969
N-[(3-propan-2-ylphenyl)methyl]cyclopentanamine
CID 126684599
2-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]propan-2-amine
CID 107470447
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115526581
N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61222650
N-[1-(3-fluorophenyl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114830677
N-[(3-fluorophenyl)methyl]-5,5-dimethylthian-3-amine
CID 79955611
N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965630

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103965604) is N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(NCc2cccc(C(F)F)c2)CC(C)(C)C1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is RTLDMQQFMRACNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-17(2)9-15(10-18(3,4)12-17)21-11-13-6-5-7-14(8-13)16(19)20/h5-8,15-16,21H,9-12H2,1-4H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103965604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).