1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol

C14H22ClNO — CID 65108429

IUPAC1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
SMILESCCC(NCC(C)(O)CC)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-4-13(16-10-14(3,17)5-2)11-6-8-12(15)9-7-11/h6-9,13,16-17H,4-5,10H2,1-3H3
InChIKeyRQYXAUFZQQDNCS-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.54
Rot. Bonds6

About 1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol

1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol (PubChem CID 65108429) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
PubChem CID65108429
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
SMILESCCC(NCC(C)(O)CC)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-4-13(16-10-14(3,17)5-2)11-6-8-12(15)9-7-11/h6-9,13,16-17H,4-5,10H2,1-3H3
InChIKeyRQYXAUFZQQDNCS-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-chlorophenyl)propylamino]-2-methylpropane-1,2-diol
CID 66169648
N-[1-(4-chlorophenyl)propyl]-2-methyl-2-phenylpropan-1-amine
CID 63451971
1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
CID 112633066
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 103784224
1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784328
2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
CID 43403065
2-phenyl-1-(1-phenylpropylamino)propan-2-ol
CID 62374681

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol (CID 65108429) is 1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol is CCC(NCC(C)(O)CC)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol?
The InChIKey is RQYXAUFZQQDNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-13(16-10-14(3,17)5-2)11-6-8-12(15)9-7-11/h6-9,13,16-17H,4-5,10H2,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol?
1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol has a molecular weight of 255.79 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65108429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).