2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride

C18H32ClNO — CID 138400764

IUPAC2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride
SMILESCCCCN(CCCC)C(CC)C(O)c1ccccc1.Cl
InChIInChI=1S/C18H31NO.ClH/c1-4-7-14-19(15-8-5-2)17(6-3)18(20)16-12-10-9-11-13-16;/h9-13,17-18,20H,4-8,14-15H2,1-3H3;1H
InChIKeyXQMDNZHAFZMBBP-UHFFFAOYSA-N
MW313.91 g/mol
LogP4.82
Rot. Bonds10

About 2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride

2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride (PubChem CID 138400764) has the molecular formula C18H32ClNO and a molecular weight of 313.91 g/mol. Its IUPAC name is 2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride
PubChem CID138400764
Molecular FormulaC18H32ClNO
Molecular Weight313.91 g/mol
Exact Mass313.22
IUPAC Name2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride
SMILESCCCCN(CCCC)C(CC)C(O)c1ccccc1.Cl
InChIInChI=1S/C18H31NO.ClH/c1-4-7-14-19(15-8-5-2)17(6-3)18(20)16-12-10-9-11-13-16;/h9-13,17-18,20H,4-8,14-15H2,1-3H3;1H
InChIKeyXQMDNZHAFZMBBP-UHFFFAOYSA-N
XLogP4.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.91
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride
CID 169438778
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
2-[2-(dimethylamino)ethyl-methylamino]-1-phenylbutan-1-ol
CID 63700124
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
N,N-dibutylbutan-1-amine;phenol
CID 172785095
azane;N-octadecyl-N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 174860139
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol
CID 63472847
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride?
The IUPAC name of 2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride (CID 138400764) is 2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride.
What is the SMILES notation for 2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride?
The canonical SMILES for 2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride is CCCCN(CCCC)C(CC)C(O)c1ccccc1.Cl.
What is the InChIKey of 2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride?
The InChIKey is XQMDNZHAFZMBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO.ClH/c1-4-7-14-19(15-8-5-2)17(6-3)18(20)16-12-10-9-11-13-16;/h9-13,17-18,20H,4-8,14-15H2,1-3H3;1H.
What are the key properties of 2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride?
2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride has a molecular weight of 313.91 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride is sourced from PubChem (CID 138400764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).