N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine

C19H30FN — CID 64747185

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC(c2ccc(F)cc2)C(C)(C)C)CC1C
InChIInChI=1S/C19H30FN/c1-13-6-11-17(12-14(13)2)21-18(19(3,4)5)15-7-9-16(20)10-8-15/h7-10,13-14,17-18,21H,6,11-12H2,1-5H3
InChIKeyVDLHKSDEFGRLPF-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.33
Rot. Bonds3

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 64747185) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID64747185
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC(c2ccc(F)cc2)C(C)(C)C)CC1C
InChIInChI=1S/C19H30FN/c1-13-6-11-17(12-14(13)2)21-18(19(3,4)5)15-7-9-16(20)10-8-15/h7-10,13-14,17-18,21H,6,11-12H2,1-5H3
InChIKeyVDLHKSDEFGRLPF-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine (CID 64747185) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(NC(c2ccc(F)cc2)C(C)(C)C)CC1C.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is VDLHKSDEFGRLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-13-6-11-17(12-14(13)2)21-18(19(3,4)5)15-7-9-16(20)10-8-15/h7-10,13-14,17-18,21H,6,11-12H2,1-5H3.
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64747185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).