1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol

C18H26BrNO — CID 65117005

IUPAC1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2CC(c3cccc(Br)c3)C2)C1
InChIInChI=1S/C18H26BrNO/c1-13-4-3-7-18(21,11-13)12-20-17-9-15(10-17)14-5-2-6-16(19)8-14/h2,5-6,8,13,15,17,20-21H,3-4,7,9-12H2,1H3
InChIKeyYRTJPQCDTOHUKP-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.23
Rot. Bonds4

About 1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol

1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65117005) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65117005
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2CC(c3cccc(Br)c3)C2)C1
InChIInChI=1S/C18H26BrNO/c1-13-4-3-7-18(21,11-13)12-20-17-9-15(10-17)14-5-2-6-16(19)8-14/h2,5-6,8,13,15,17,20-21H,3-4,7,9-12H2,1H3
InChIKeyYRTJPQCDTOHUKP-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65117012
3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63821467
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116922
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-methyl-1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65117349
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489
tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate
CID 103759654

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol (CID 65117005) is 1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNC2CC(c3cccc(Br)c3)C2)C1.
What is the InChIKey of 1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is YRTJPQCDTOHUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-13-4-3-7-18(21,11-13)12-20-17-9-15(10-17)14-5-2-6-16(19)8-14/h2,5-6,8,13,15,17,20-21H,3-4,7,9-12H2,1H3.
What are the key properties of 1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol?
1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 352.32 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65117005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).