3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol

C17H28ClNO — CID 63489960

IUPAC3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
SMILESCCCCN(CCC(O)c1ccc(Cl)cc1)C(C)CC
InChIInChI=1S/C17H28ClNO/c1-4-6-12-19(14(3)5-2)13-11-17(20)15-7-9-16(18)10-8-15/h7-10,14,17,20H,4-6,11-13H2,1-3H3
InChIKeyBYBGUGOOQHSDBZ-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.66
Rot. Bonds9

About 3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol

3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol (PubChem CID 63489960) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
PubChem CID63489960
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
SMILESCCCCN(CCC(O)c1ccc(Cl)cc1)C(C)CC
InChIInChI=1S/C17H28ClNO/c1-4-6-12-19(14(3)5-2)13-11-17(20)15-7-9-16(18)10-8-15/h7-10,14,17,20H,4-6,11-13H2,1-3H3
InChIKeyBYBGUGOOQHSDBZ-UHFFFAOYSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-(4-chlorophenyl)-3-[ethyl(propyl)amino]propan-1-ol
CID 55099257
1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol
CID 112665146
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
CID 62613917
(1R,2R)-1-(4-chlorophenyl)-2-(dioctylamino)propan-1-ol
CID 98129728
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
3-[butan-2-yl(butyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126666
1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493353
2-[[2-amino-1-(4-chlorophenyl)propyl]-butylamino]ethanol
CID 55014902
1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62628604

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol (CID 63489960) is 3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol is CCCCN(CCC(O)c1ccc(Cl)cc1)C(C)CC.
What is the InChIKey of 3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol?
The InChIKey is BYBGUGOOQHSDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-4-6-12-19(14(3)5-2)13-11-17(20)15-7-9-16(18)10-8-15/h7-10,14,17,20H,4-6,11-13H2,1-3H3.
What are the key properties of 3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol?
3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol has a molecular weight of 297.87 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 63489960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).