2-[butyl(cyclopropyl)amino]-1-phenylethanol

C15H23NO — CID 60751435

IUPAC2-[butyl(cyclopropyl)amino]-1-phenylethanol
SMILESCCCCN(CC(O)c1ccccc1)C1CC1
InChIInChI=1S/C15H23NO/c1-2-3-11-16(14-9-10-14)12-15(17)13-7-5-4-6-8-13/h4-8,14-15,17H,2-3,9-12H2,1H3
InChIKeyCGAYEZRRUXZBNN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.98
Rot. Bonds7

About 2-[butyl(cyclopropyl)amino]-1-phenylethanol

2-[butyl(cyclopropyl)amino]-1-phenylethanol (PubChem CID 60751435) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]-1-phenylethanol
PubChem CID60751435
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[butyl(cyclopropyl)amino]-1-phenylethanol
SMILESCCCCN(CC(O)c1ccccc1)C1CC1
InChIInChI=1S/C15H23NO/c1-2-3-11-16(14-9-10-14)12-15(17)13-7-5-4-6-8-13/h4-8,14-15,17H,2-3,9-12H2,1H3
InChIKeyCGAYEZRRUXZBNN-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl-(1,1-dioxothiolan-3-yl)amino]-1-phenylethanol
CID 111110027
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine
CID 61440470
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 55135554
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol
CID 61231963
N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
CID 62612456
2-[butyl-(1,1-dioxothiolan-3-yl)amino]-1-(4-chlorophenyl)ethanol
CID 111110029
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
3-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 81134486
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
CID 78976695
(1S)-1-phenylpentan-1-ol
CID 6992754

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]-1-phenylethanol?
The IUPAC name of 2-[butyl(cyclopropyl)amino]-1-phenylethanol (CID 60751435) is 2-[butyl(cyclopropyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]-1-phenylethanol is CCCCN(CC(O)c1ccccc1)C1CC1.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]-1-phenylethanol?
The InChIKey is CGAYEZRRUXZBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-11-16(14-9-10-14)12-15(17)13-7-5-4-6-8-13/h4-8,14-15,17H,2-3,9-12H2,1H3.
What are the key properties of 2-[butyl(cyclopropyl)amino]-1-phenylethanol?
2-[butyl(cyclopropyl)amino]-1-phenylethanol has a molecular weight of 233.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]-1-phenylethanol is sourced from PubChem (CID 60751435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).