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

C15H24ClNO — CID 55098928

IUPAC1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol
SMILESCC(C)C(C)N(C)CCC(O)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-11(2)12(3)17(4)10-9-15(18)13-7-5-6-8-14(13)16/h5-8,11-12,15,18H,9-10H2,1-4H3
InChIKeyZWTUVFRSACOFAQ-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.74
Rot. Bonds6

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

1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol (PubChem CID 55098928) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol
PubChem CID55098928
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol
SMILESCC(C)C(C)N(C)CCC(O)c1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-11(2)12(3)17(4)10-9-15(18)13-7-5-6-8-14(13)16/h5-8,11-12,15,18H,9-10H2,1-4H3
InChIKeyZWTUVFRSACOFAQ-UHFFFAOYSA-N
XLogP3.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.74
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-[ethyl(methyl)amino]propan-1-ol
CID 62628760
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)-N-propylpropane-1,3-diamine
CID 63493443
1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol
CID 102997275
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62630994
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol
CID 55099549
(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine
CID 54447002
(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
1-(2-chlorophenyl)-4-methylsulfanylbutan-1-ol
CID 103090055
3-(2-chlorophenyl)-4-methylpentan-1-ol
CID 82078258

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol (CID 55098928) is 1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol is CC(C)C(C)N(C)CCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol?
The InChIKey is ZWTUVFRSACOFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11(2)12(3)17(4)10-9-15(18)13-7-5-6-8-14(13)16/h5-8,11-12,15,18H,9-10H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol?
1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol has a molecular weight of 269.82 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 55098928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).