2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol

C17H27NO — CID 78976695

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CN(CCC(C)C)C2CC2)c1
InChIInChI=1S/C17H27NO/c1-13(2)9-10-18(16-7-8-16)12-17(19)15-6-4-5-14(3)11-15/h4-6,11,13,16-17,19H,7-10,12H2,1-3H3
InChIKeyNCORPUGHEJYLBB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.54
Rot. Bonds7

About 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol

2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol (PubChem CID 78976695) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
PubChem CID78976695
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CN(CCC(C)C)C2CC2)c1
InChIInChI=1S/C17H27NO/c1-13(2)9-10-18(16-7-8-16)12-17(19)15-6-4-5-14(3)11-15/h4-6,11,13,16-17,19H,7-10,12H2,1-3H3
InChIKeyNCORPUGHEJYLBB-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
CID 78944157
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
2-[cyclopropyl(3-methylbutyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 110898512
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 99809966
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-ol
CID 115001890
3-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 81134486
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
CID 82754768
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol
CID 55002007
1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine
CID 110031689

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol (CID 78976695) is 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CN(CCC(C)C)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol?
The InChIKey is NCORPUGHEJYLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)9-10-18(16-7-8-16)12-17(19)15-6-4-5-14(3)11-15/h4-6,11,13,16-17,19H,7-10,12H2,1-3H3.
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol?
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 78976695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).