1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol

C13H20ClNO2 — CID 75484188

IUPAC1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H20ClNO2/c1-10-6-11(4-5-13(10)14)7-15(2)8-12(16)9-17-3/h4-6,12,16H,7-9H2,1-3H3
InChIKeyVQSRDOADVFUXMN-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.09
Rot. Bonds6

About 1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol

1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 75484188) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID75484188
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H20ClNO2/c1-10-6-11(4-5-13(10)14)7-15(2)8-12(16)9-17-3/h4-6,12,16H,7-9H2,1-3H3
InChIKeyVQSRDOADVFUXMN-UHFFFAOYSA-N
XLogP2.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethylphenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016738
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
3-chloro-4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzonitrile
CID 102665404
1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62464336
1-methoxy-3-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
CID 55046573
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 54993979
1-[(2-chloro-4-nitrophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016553
1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 3891436
1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62470207
1-[(5-chloro-2-nitrophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 79493100

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol (CID 75484188) is 1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)Cc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is VQSRDOADVFUXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10-6-11(4-5-13(10)14)7-15(2)8-12(16)9-17-3/h4-6,12,16H,7-9H2,1-3H3.
What are the key properties of 1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol?
1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-methylphenyl)methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 75484188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).