2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol

C16H25NO — CID 3056657

IUPAC2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol
SMILESCNC1CCCC(c2ccc(C(C)CO)cc2)C1
InChIInChI=1S/C16H25NO/c1-12(11-18)13-6-8-14(9-7-13)15-4-3-5-16(10-15)17-2/h6-9,12,15-18H,3-5,10-11H2,1-2H3
InChIKeyWCXJGSLEWKEZHQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.03
Rot. Bonds4

About 2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol

2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol (PubChem CID 3056657) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol
PubChem CID3056657
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol
SMILESCNC1CCCC(c2ccc(C(C)CO)cc2)C1
InChIInChI=1S/C16H25NO/c1-12(11-18)13-6-8-14(9-7-13)15-4-3-5-16(10-15)17-2/h6-9,12,15-18H,3-5,10-11H2,1-2H3
InChIKeyWCXJGSLEWKEZHQ-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol?
The IUPAC name of 2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol (CID 3056657) is 2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol?
The canonical SMILES for 2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol is CNC1CCCC(c2ccc(C(C)CO)cc2)C1.
What is the InChIKey of 2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol?
The InChIKey is WCXJGSLEWKEZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(11-18)13-6-8-14(9-7-13)15-4-3-5-16(10-15)17-2/h6-9,12,15-18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol?
2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(methylamino)cyclohexyl]phenyl]propan-1-ol is sourced from PubChem (CID 3056657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).