1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol

C12H18ClNO — CID 62628760

IUPAC1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
SMILESCCN(C)CCC(O)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-3-14(2)9-8-12(15)10-6-4-5-7-11(10)13/h4-7,12,15H,3,8-9H2,1-2H3
InChIKeyUXIXZDOJPNZELC-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.72
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol

1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol (PubChem CID 62628760) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
PubChem CID62628760
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
SMILESCCN(C)CCC(O)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-3-14(2)9-8-12(15)10-6-4-5-7-11(10)13/h4-7,12,15H,3,8-9H2,1-2H3
InChIKeyUXIXZDOJPNZELC-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 113426386
1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol
CID 102997275
1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol
CID 55098928
1-(2-chlorophenyl)-N'-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 62643934
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol
CID 55099549
1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62630994
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol
CID 114079785
1-(2-chlorophenyl)-3-[cyclopropyl(cyclopropylmethyl)amino]propan-1-ol
CID 64520874

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol (CID 62628760) is 1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol is CCN(C)CCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol?
The InChIKey is UXIXZDOJPNZELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-3-14(2)9-8-12(15)10-6-4-5-7-11(10)13/h4-7,12,15H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol?
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol has a molecular weight of 227.74 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 62628760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).