3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol

C17H29NO — CID 115359024

IUPAC3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCCCCc1ccc(C(C)NCC(C)(C)CO)cc1
InChIInChI=1S/C17H29NO/c1-5-6-7-15-8-10-16(11-9-15)14(2)18-12-17(3,4)13-19/h8-11,14,18-19H,5-7,12-13H2,1-4H3
InChIKeyAHICMSOADUOFSK-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.70
Rot. Bonds8

About 3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol

3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol (PubChem CID 115359024) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
PubChem CID115359024
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCCCCc1ccc(C(C)NCC(C)(C)CO)cc1
InChIInChI=1S/C17H29NO/c1-5-6-7-15-8-10-16(11-9-15)14(2)18-12-17(3,4)13-19/h8-11,14,18-19H,5-7,12-13H2,1-4H3
InChIKeyAHICMSOADUOFSK-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 103787561
3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414849
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 43093654
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine
CID 45282077
N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 113464545
2-bromo-N-[1-(4-butylphenyl)ethyl]prop-2-en-1-amine
CID 113464993
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 54922154
(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
CID 103922455

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol (CID 115359024) is 3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol is CCCCc1ccc(C(C)NCC(C)(C)CO)cc1.
What is the InChIKey of 3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is AHICMSOADUOFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-7-15-8-10-16(11-9-15)14(2)18-12-17(3,4)13-19/h8-11,14,18-19H,5-7,12-13H2,1-4H3.
What are the key properties of 3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol?
3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).