[4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol

C13H20ClNO — CID 115929963

IUPAC[4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol
SMILESCCC(C)C(C)Nc1cc(CO)ccc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-9(2)10(3)15-13-7-11(8-16)5-6-12(13)14/h5-7,9-10,15-16H,4,8H2,1-3H3
InChIKeyMHXGGNNRELCZCU-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.68
Rot. Bonds5

About [4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol

[4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol (PubChem CID 115929963) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is [4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol
PubChem CID115929963
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name[4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol
SMILESCCC(C)C(C)Nc1cc(CO)ccc1Cl
InChIInChI=1S/C13H20ClNO/c1-4-9(2)10(3)15-13-7-11(8-16)5-6-12(13)14/h5-7,9-10,15-16H,4,8H2,1-3H3
InChIKeyMHXGGNNRELCZCU-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-chloro-3-(3-methylpentan-2-ylamino)benzoate
CID 43714697
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
CID 43733550
[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
CID 93275520
[2-[[(2S,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
CID 93275522
2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol
CID 107679023
N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide
CID 110025972
methyl 2-chloro-5-(3-methylpentan-2-ylamino)benzoate
CID 43672639
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
4-chloro-N-(3-methylpentan-2-yl)-2-(trifluoromethyl)aniline
CID 43105999
[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
CID 111466189
[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
CID 81151908

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol?
The IUPAC name of [4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol (CID 115929963) is [4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol.
What is the SMILES notation for [4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol?
The canonical SMILES for [4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol is CCC(C)C(C)Nc1cc(CO)ccc1Cl.
What is the InChIKey of [4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol?
The InChIKey is MHXGGNNRELCZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-9(2)10(3)15-13-7-11(8-16)5-6-12(13)14/h5-7,9-10,15-16H,4,8H2,1-3H3.
What are the key properties of [4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol?
[4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol has a molecular weight of 241.76 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol is sourced from PubChem (CID 115929963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).