3-[benzhydryl(butyl)amino]propan-1-ol

C20H27NO — CID 56583759

IUPAC3-[benzhydryl(butyl)amino]propan-1-ol
SMILESCCCCN(CCCO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO/c1-2-3-15-21(16-10-17-22)20(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,22H,2-3,10,15-17H2,1H3
InChIKeyBFTBWNCHUZNNQM-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.26
Rot. Bonds9

About 3-[benzhydryl(butyl)amino]propan-1-ol

3-[benzhydryl(butyl)amino]propan-1-ol (PubChem CID 56583759) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-[benzhydryl(butyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[benzhydryl(butyl)amino]propan-1-ol
PubChem CID56583759
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name3-[benzhydryl(butyl)amino]propan-1-ol
SMILESCCCCN(CCCO)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27NO/c1-2-3-15-21(16-10-17-22)20(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,22H,2-3,10,15-17H2,1H3
InChIKeyBFTBWNCHUZNNQM-UHFFFAOYSA-N
XLogP4.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzhydryl(ethyl)amino]ethanol
CID 131843300
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride
CID 169438778
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
2-[benzhydryl(3-hydroxypropyl)amino]-N-pentan-3-ylacetamide
CID 56584158
N,N-dibutyl-4,4-diphenylbutan-1-amine
CID 3026479
2-(dibutylamino)-1-phenylbutan-1-ol;hydrochloride
CID 138400764
N,N-dibutylbutan-1-amine;phenol
CID 172785095
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetohydrazide
CID 55213465
3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol
CID 111111050

Frequently Asked Questions

What is the IUPAC name of 3-[benzhydryl(butyl)amino]propan-1-ol?
The IUPAC name of 3-[benzhydryl(butyl)amino]propan-1-ol (CID 56583759) is 3-[benzhydryl(butyl)amino]propan-1-ol.
What is the SMILES notation for 3-[benzhydryl(butyl)amino]propan-1-ol?
The canonical SMILES for 3-[benzhydryl(butyl)amino]propan-1-ol is CCCCN(CCCO)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[benzhydryl(butyl)amino]propan-1-ol?
The InChIKey is BFTBWNCHUZNNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-2-3-15-21(16-10-17-22)20(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,22H,2-3,10,15-17H2,1H3.
What are the key properties of 3-[benzhydryl(butyl)amino]propan-1-ol?
3-[benzhydryl(butyl)amino]propan-1-ol has a molecular weight of 297.44 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzhydryl(butyl)amino]propan-1-ol is sourced from PubChem (CID 56583759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).