[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol

C12H18ClNO2 — CID 81151908

IUPAC[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
SMILESCOCC(C)N(C)c1ccc(CO)cc1Cl
InChIInChI=1S/C12H18ClNO2/c1-9(8-16-3)14(2)12-5-4-10(7-15)6-11(12)13/h4-6,9,15H,7-8H2,1-3H3
InChIKeyFVHWIHNWXIACSD-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.30
Rot. Bonds5

About [3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol

[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol (PubChem CID 81151908) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is [3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
PubChem CID81151908
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
SMILESCOCC(C)N(C)c1ccc(CO)cc1Cl
InChIInChI=1S/C12H18ClNO2/c1-9(8-16-3)14(2)12-5-4-10(7-15)6-11(12)13/h4-6,9,15H,7-8H2,1-3H3
InChIKeyFVHWIHNWXIACSD-UHFFFAOYSA-N
XLogP2.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 81149579
[4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
CID 61451739
[3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol
CID 81151814
[3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005430
2-chloro-4-(chloromethyl)-N-methyl-N-pentan-2-ylaniline
CID 81151954
[4-[bis(3-methylbutyl)amino]-3-chlorophenyl]methanol
CID 107870425
[3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 81152681
2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 81149614
N-butan-2-yl-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148692
[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol
CID 81151916
4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 55236420
[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol
CID 81151607

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol?
The IUPAC name of [3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol (CID 81151908) is [3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol is COCC(C)N(C)c1ccc(CO)cc1Cl.
What is the InChIKey of [3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol?
The InChIKey is FVHWIHNWXIACSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9(8-16-3)14(2)12-5-4-10(7-15)6-11(12)13/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of [3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol?
[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol has a molecular weight of 243.73 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol is sourced from PubChem (CID 81151908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).