[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol

C11H14ClNO — CID 114845206

IUPAC[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
SMILESCN(c1ccc(Cl)cc1CO)C1CC1
InChIInChI=1S/C11H14ClNO/c1-13(10-3-4-10)11-5-2-9(12)6-8(11)7-14/h2,5-6,10,14H,3-4,7H2,1H3
InChIKeyBIVFEXHEJBLNBV-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.43
Rot. Bonds3

About [5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol

[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol (PubChem CID 114845206) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is [5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
PubChem CID114845206
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
SMILESCN(c1ccc(Cl)cc1CO)C1CC1
InChIInChI=1S/C11H14ClNO/c1-13(10-3-4-10)11-5-2-9(12)6-8(11)7-14/h2,5-6,10,14H,3-4,7H2,1H3
InChIKeyBIVFEXHEJBLNBV-UHFFFAOYSA-N
XLogP2.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 114845376
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol
CID 43265160
N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082125
[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
CID 114845343
N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114861329
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
N-[4-chloro-2-(methylaminomethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114850104
N-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 114847469
[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
CID 114845501

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol?
The IUPAC name of [5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol (CID 114845206) is [5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol is CN(c1ccc(Cl)cc1CO)C1CC1.
What is the InChIKey of [5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol?
The InChIKey is BIVFEXHEJBLNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-13(10-3-4-10)11-5-2-9(12)6-8(11)7-14/h2,5-6,10,14H,3-4,7H2,1H3.
What are the key properties of [5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol?
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol has a molecular weight of 211.69 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol is sourced from PubChem (CID 114845206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).