3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol

C17H29NO — CID 103787561

IUPAC3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
SMILESCCCc1ccc(C(C)NCC(C)(C)CCO)cc1
InChIInChI=1S/C17H29NO/c1-5-6-15-7-9-16(10-8-15)14(2)18-13-17(3,4)11-12-19/h7-10,14,18-19H,5-6,11-13H2,1-4H3
InChIKeyYPPAMYBJJNRZSC-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.70
Rot. Bonds8

About 3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol

3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol (PubChem CID 103787561) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
PubChem CID103787561
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
SMILESCCCc1ccc(C(C)NCC(C)(C)CCO)cc1
InChIInChI=1S/C17H29NO/c1-5-6-15-7-9-16(10-8-15)14(2)18-13-17(3,4)11-12-19/h7-10,14,18-19H,5-6,11-13H2,1-4H3
InChIKeyYPPAMYBJJNRZSC-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-methylphenyl)ethylamino]butan-1-ol
CID 103787637
3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359024
N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 43093654
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
CID 103787569
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
CID 81298338
4-[1-(4-chloro-3-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 113345013
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414849
2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide
CID 30045539
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol (CID 103787561) is 3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol is CCCc1ccc(C(C)NCC(C)(C)CCO)cc1.
What is the InChIKey of 3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol?
The InChIKey is YPPAMYBJJNRZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-15-7-9-16(10-8-15)14(2)18-13-17(3,4)11-12-19/h7-10,14,18-19H,5-6,11-13H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol?
3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-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 3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 103787561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).