1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine

C17H27N — CID 55187341

IUPAC1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(C)c(C2(N)CCC(C(C)C)CC2)c1
InChIInChI=1S/C17H27N/c1-12(2)15-7-9-17(18,10-8-15)16-11-13(3)5-6-14(16)4/h5-6,11-12,15H,7-10,18H2,1-4H3
InChIKeyQQFXBUWOHVXLDM-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.30
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine

1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 55187341) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID55187341
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(C)c(C2(N)CCC(C(C)C)CC2)c1
InChIInChI=1S/C17H27N/c1-12(2)15-7-9-17(18,10-8-15)16-11-13(3)5-6-14(16)4/h5-6,11-12,15H,7-10,18H2,1-4H3
InChIKeyQQFXBUWOHVXLDM-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411288
1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407853
1-(2,4-dimethylphenyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450134
1-[5-(difluoromethyl)-2-methylphenyl]cyclopropan-1-amine
CID 84774294
1-(2,6-difluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 82819791
3-propan-2-yl-1-(2,4,5-trimethylphenyl)cyclohexan-1-amine
CID 107450141
1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine
CID 65099403
1-(4-fluoro-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086228
4-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 55186583
2-(2,5-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 66465150
1-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64774371
1-(4-tert-butylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411290

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine (CID 55187341) is 1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine is Cc1ccc(C)c(C2(N)CCC(C(C)C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is QQFXBUWOHVXLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)15-7-9-17(18,10-8-15)16-11-13(3)5-6-14(16)4/h5-6,11-12,15H,7-10,18H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine?
1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55187341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).