2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine

C17H27NO — CID 64776281

IUPAC2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OC1CCC(C)CC1
InChIInChI=1S/C17H27NO/c1-12-4-6-16(7-5-12)19-17-13(2)10-15(8-9-18)11-14(17)3/h10-12,16H,4-9,18H2,1-3H3
InChIKeyHISFTNSMQXJLMT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds4

About 2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine

2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 64776281) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
PubChem CID64776281
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OC1CCC(C)CC1
InChIInChI=1S/C17H27NO/c1-12-4-6-16(7-5-12)19-17-13(2)10-15(8-9-18)11-14(17)3/h10-12,16H,4-9,18H2,1-3H3
InChIKeyHISFTNSMQXJLMT-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine (CID 64776281) is 2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine is Cc1cc(CCN)cc(C)c1OC1CCC(C)CC1.
What is the InChIKey of 2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is HISFTNSMQXJLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-4-6-16(7-5-12)19-17-13(2)10-15(8-9-18)11-14(17)3/h10-12,16H,4-9,18H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 64776281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).