1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol

C18H26ClNO — CID 65117559

IUPAC1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CC(c3ccccc3Cl)C2)CC1
InChIInChI=1S/C18H26ClNO/c1-13-6-8-18(21,9-7-13)12-20-15-10-14(11-15)16-4-2-3-5-17(16)19/h2-5,13-15,20-21H,6-12H2,1H3
InChIKeyIHNTUGLYZYOPGD-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.12
Rot. Bonds4

About 1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol

1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65117559) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65117559
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CC(c3ccccc3Cl)C2)CC1
InChIInChI=1S/C18H26ClNO/c1-13-6-8-18(21,9-7-13)12-20-15-10-14(11-15)16-4-2-3-5-17(16)19/h2-5,13-15,20-21H,6-12H2,1H3
InChIKeyIHNTUGLYZYOPGD-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol (CID 65117559) is 1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNC2CC(c3ccccc3Cl)C2)CC1.
What is the InChIKey of 1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is IHNTUGLYZYOPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-13-6-8-18(21,9-7-13)12-20-15-10-14(11-15)16-4-2-3-5-17(16)19/h2-5,13-15,20-21H,6-12H2,1H3.
What are the key properties of 1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol?
1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 307.86 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65117559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).