1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol

C14H22ClNO2 — CID 112754618

IUPAC1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol
SMILESCOC(C)CN(C)CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2/c1-11(18-3)10-16(2)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyYIVLMBIKNKDQPY-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.73
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol

1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol (PubChem CID 112754618) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol
PubChem CID112754618
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol
SMILESCOC(C)CN(C)CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2/c1-11(18-3)10-16(2)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyYIVLMBIKNKDQPY-UHFFFAOYSA-N
XLogP2.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
CID 62628773
1-(4-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]ethanol
CID 110908142
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol
CID 112665146
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
1-(4-chlorophenyl)-3-fluoropropan-1-ol
CID 146533212
1-(4-chlorophenyl)-3-[ethyl(propyl)amino]propan-1-ol
CID 55099257
1-[[2-(4-chlorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111108072

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol (CID 112754618) is 1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol is COC(C)CN(C)CCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol?
The InChIKey is YIVLMBIKNKDQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-11(18-3)10-16(2)9-8-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol?
1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 112754618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).