N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

C19H30FN — CID 63462584

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NC(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H30FN/c1-13(2)18-10-5-14(3)11-19(18)21-15(4)12-16-6-8-17(20)9-7-16/h6-9,13-15,18-19,21H,5,10-12H2,1-4H3
InChIKeyZKBUBCAFRXFTBD-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.81
Rot. Bonds5

About N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 63462584) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID63462584
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NC(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H30FN/c1-13(2)18-10-5-14(3)11-19(18)21-15(4)12-16-6-8-17(20)9-7-16/h6-9,13-15,18-19,21H,5,10-12H2,1-4H3
InChIKeyZKBUBCAFRXFTBD-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81347756
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
CID 64760321
trans-(1R,2R)-2-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentan-1-ol
CID 102733429
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
N-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43078452
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
CID 136740321
CID 136740321
1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80562355
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 63462584) is N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NC(C)Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is ZKBUBCAFRXFTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-13(2)18-10-5-14(3)11-19(18)21-15(4)12-16-6-8-17(20)9-7-16/h6-9,13-15,18-19,21H,5,10-12H2,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63462584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).