4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol

C16H27NO — CID 83935409

IUPAC4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol
SMILESCc1ccc(C(C)(C)C)cc1CCC(O)C(C)N
InChIInChI=1S/C16H27NO/c1-11-6-8-14(16(3,4)5)10-13(11)7-9-15(18)12(2)17/h6,8,10,12,15,18H,7,9,17H2,1-5H3
InChIKeyUEYOVALLDFEXHH-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.93
Rot. Bonds4

About 4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol

4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol (PubChem CID 83935409) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol.

Molecular Properties

Compound Name4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol
PubChem CID83935409
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol
SMILESCc1ccc(C(C)(C)C)cc1CCC(O)C(C)N
InChIInChI=1S/C16H27NO/c1-11-6-8-14(16(3,4)5)10-13(11)7-9-15(18)12(2)17/h6,8,10,12,15,18H,7,9,17H2,1-5H3
InChIKeyUEYOVALLDFEXHH-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

beta-Amino-4-octylbenzenebutanol Hydrochloride
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3(S)-Amino-4-phenyl-butan-2(S)-OL
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(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
CID 45262335
(2S,3R)-2-amino-4-(4-octylphenyl)butane-1,3-diol
CID 11645021
(2R)-2-amino-2-[(2S)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol
CID 25192157
2-Amino-4-(4-octylphenyl)butan-1-ol
CID 10064206
(2R)-2-amino-4-(4-octylphenyl)butan-1-ol
CID 11608833
(2S)-2-amino-4-(4-octylphenyl)butan-1-ol
CID 54149192
2-Amino-2-(4-tert-butylphenyl)ethan-1-ol
CID 14853163
(2S,3S)-2-amino-4-(4-octylphenyl)butane-1,3-diol
CID 11623472
(2S,3R)-2-amino-1-phenyloctadecan-3-ol
CID 118735812
(R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
CID 25192156

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol?
The IUPAC name of 4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol (CID 83935409) is 4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol.
What is the SMILES notation for 4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol?
The canonical SMILES for 4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol is Cc1ccc(C(C)(C)C)cc1CCC(O)C(C)N.
What is the InChIKey of 4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol?
The InChIKey is UEYOVALLDFEXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11-6-8-14(16(3,4)5)10-13(11)7-9-15(18)12(2)17/h6,8,10,12,15,18H,7,9,17H2,1-5H3.
What are the key properties of 4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol?
4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol has a molecular weight of 249.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-tert-butyl-2-methylphenyl)pentan-3-ol is sourced from PubChem (CID 83935409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).