4-[3-[(3-methylcyclohexyl)amino]butyl]phenol

C17H27NO — CID 43317708

IUPAC4-[3-[(3-methylcyclohexyl)amino]butyl]phenol
SMILESCC1CCCC(NC(C)CCc2ccc(O)cc2)C1
InChIInChI=1S/C17H27NO/c1-13-4-3-5-16(12-13)18-14(2)6-7-15-8-10-17(19)11-9-15/h8-11,13-14,16,18-19H,3-7,12H2,1-2H3
InChIKeyIQRLKJQQEQCEEI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.88
Rot. Bonds5

About 4-[3-[(3-methylcyclohexyl)amino]butyl]phenol

4-[3-[(3-methylcyclohexyl)amino]butyl]phenol (PubChem CID 43317708) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[3-[(3-methylcyclohexyl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(3-methylcyclohexyl)amino]butyl]phenol
PubChem CID43317708
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[3-[(3-methylcyclohexyl)amino]butyl]phenol
SMILESCC1CCCC(NC(C)CCc2ccc(O)cc2)C1
InChIInChI=1S/C17H27NO/c1-13-4-3-5-16(12-13)18-14(2)6-7-15-8-10-17(19)11-9-15/h8-11,13-14,16,18-19H,3-7,12H2,1-2H3
InChIKeyIQRLKJQQEQCEEI-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-methylcyclohexyl)amino]butyl]phenol?
The IUPAC name of 4-[3-[(3-methylcyclohexyl)amino]butyl]phenol (CID 43317708) is 4-[3-[(3-methylcyclohexyl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[(3-methylcyclohexyl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[(3-methylcyclohexyl)amino]butyl]phenol is CC1CCCC(NC(C)CCc2ccc(O)cc2)C1.
What is the InChIKey of 4-[3-[(3-methylcyclohexyl)amino]butyl]phenol?
The InChIKey is IQRLKJQQEQCEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-4-3-5-16(12-13)18-14(2)6-7-15-8-10-17(19)11-9-15/h8-11,13-14,16,18-19H,3-7,12H2,1-2H3.
What are the key properties of 4-[3-[(3-methylcyclohexyl)amino]butyl]phenol?
4-[3-[(3-methylcyclohexyl)amino]butyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-methylcyclohexyl)amino]butyl]phenol is sourced from PubChem (CID 43317708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).