[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol

C14H20ClNO — CID 116912658

IUPAC[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
SMILESCN(C)C(c1ccc(Cl)cc1)C1(CO)CCC1
InChIInChI=1S/C14H20ClNO/c1-16(2)13(14(10-17)8-3-9-14)11-4-6-12(15)7-5-11/h4-7,13,17H,3,8-10H2,1-2H3
InChIKeyRGWLOPKMQKMSOT-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.11
Rot. Bonds4

About [1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol

[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol (PubChem CID 116912658) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
PubChem CID116912658
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
SMILESCN(C)C(c1ccc(Cl)cc1)C1(CO)CCC1
InChIInChI=1S/C14H20ClNO/c1-16(2)13(14(10-17)8-3-9-14)11-4-6-12(15)7-5-11/h4-7,13,17H,3,8-10H2,1-2H3
InChIKeyRGWLOPKMQKMSOT-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912957
[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol
CID 116912161
1-[1-(aminomethyl)cyclobutyl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 116912489
1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 81170816
[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959052
[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912673
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride
CID 19823714
1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol
CID 130055465
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79856564
[1-[1-(dimethylamino)propyl]cyclobutyl]methanol
CID 116912644
[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
CID 116944767
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol (CID 116912658) is [1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol is CN(C)C(c1ccc(Cl)cc1)C1(CO)CCC1.
What is the InChIKey of [1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
The InChIKey is RGWLOPKMQKMSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16(2)13(14(10-17)8-3-9-14)11-4-6-12(15)7-5-11/h4-7,13,17H,3,8-10H2,1-2H3.
What are the key properties of [1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol?
[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol has a molecular weight of 253.77 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116912658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).