3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine

C17H27NO — CID 64751453

IUPAC3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(N)(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C17H27NO/c1-12(2)19-16-7-5-15(6-8-16)17(18)10-13(3)9-14(4)11-17/h5-8,12-14H,9-11,18H2,1-4H3
InChIKeyPUNMSMNSLDJPPO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds3

About 3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine

3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine (PubChem CID 64751453) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
PubChem CID64751453
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(N)(c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C17H27NO/c1-12(2)19-16-7-5-15(6-8-16)17(18)10-13(3)9-14(4)11-17/h5-8,12-14H,9-11,18H2,1-4H3
InChIKeyPUNMSMNSLDJPPO-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine (CID 64751453) is 3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine is CC1CC(C)CC(N)(c2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
The InChIKey is PUNMSMNSLDJPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)19-16-7-5-15(6-8-16)17(18)10-13(3)9-14(4)11-17/h5-8,12-14H,9-11,18H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine?
3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-propan-2-yloxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 64751453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).