3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol

C15H22ClNO — CID 106869320

IUPAC3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
SMILESCc1ccc(CN(CCCO)C2CCC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-12-6-7-13(15(16)10-12)11-17(8-3-9-18)14-4-2-5-14/h6-7,10,14,18H,2-5,8-9,11H2,1H3
InChIKeyXCGTUOKEHWTUGN-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.39
Rot. Bonds6

About 3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol

3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol (PubChem CID 106869320) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
PubChem CID106869320
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
SMILESCc1ccc(CN(CCCO)C2CCC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-12-6-7-13(15(16)10-12)11-17(8-3-9-18)14-4-2-5-14/h6-7,10,14,18H,2-5,8-9,11H2,1H3
InChIKeyXCGTUOKEHWTUGN-UHFFFAOYSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106869935
N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine
CID 102860014
3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860571
2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126
2-[[(2-chloro-4-methylphenyl)methyl-cyclopropylamino]methyl]aniline
CID 106864211
N-(3-bromopropyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860157
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106865751
N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine
CID 61481667
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106865765
3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860629
N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine
CID 63388091

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol (CID 106869320) is 3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol is Cc1ccc(CN(CCCO)C2CCC2)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol?
The InChIKey is XCGTUOKEHWTUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12-6-7-13(15(16)10-12)11-17(8-3-9-18)14-4-2-5-14/h6-7,10,14,18H,2-5,8-9,11H2,1H3.
What are the key properties of 3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol?
3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 106869320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).