2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol

C17H29NO — CID 82313534

IUPAC2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol
SMILESCCCCNC(C(C)C)C(O)c1ccc(C)cc1C
InChIInChI=1S/C17H29NO/c1-6-7-10-18-16(12(2)3)17(19)15-9-8-13(4)11-14(15)5/h8-9,11-12,16-19H,6-7,10H2,1-5H3
InChIKeyVNYQJCASSXBYGU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.75
Rot. Bonds7

About 2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol

2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol (PubChem CID 82313534) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol
PubChem CID82313534
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol
SMILESCCCCNC(C(C)C)C(O)c1ccc(C)cc1C
InChIInChI=1S/C17H29NO/c1-6-7-10-18-16(12(2)3)17(19)15-9-8-13(4)11-14(15)5/h8-9,11-12,16-19H,6-7,10H2,1-5H3
InChIKeyVNYQJCASSXBYGU-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82313434
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675256
2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 82313385
1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853
1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82313439
methyl 3-(butylamino)-4-(2,5-dimethylphenyl)-4-hydroxybutanoate
CID 82349613
2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82313474
1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005528
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]hexanamide
CID 54862005
1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
CID 103459685
1-(2,4-dimethylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]butan-1-ol
CID 82313512

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol (CID 82313534) is 2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol is CCCCNC(C(C)C)C(O)c1ccc(C)cc1C.
What is the InChIKey of 2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol?
The InChIKey is VNYQJCASSXBYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-7-10-18-16(12(2)3)17(19)15-9-8-13(4)11-14(15)5/h8-9,11-12,16-19H,6-7,10H2,1-5H3.
What are the key properties of 2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol?
2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82313534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).