4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol

C17H29NO — CID 116546296

IUPAC4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
SMILESCCCc1cccc(C(C)(O)CCNCC(C)C)c1
InChIInChI=1S/C17H29NO/c1-5-7-15-8-6-9-16(12-15)17(4,19)10-11-18-13-14(2)3/h6,8-9,12,14,18-19H,5,7,10-11,13H2,1-4H3
InChIKeyPQJXNNXANHLYPB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.48
Rot. Bonds8

About 4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol

4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol (PubChem CID 116546296) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
PubChem CID116546296
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
SMILESCCCc1cccc(C(C)(O)CCNCC(C)C)c1
InChIInChI=1S/C17H29NO/c1-5-7-15-8-6-9-16(12-15)17(4,19)10-11-18-13-14(2)3/h6,8-9,12,14,18-19H,5,7,10-11,13H2,1-4H3
InChIKeyPQJXNNXANHLYPB-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.48
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

2-(3-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002281
2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545559
4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol
CID 66002674
2-(4-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003253
1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66000874
3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
CID 66003057
4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol
CID 81221362
4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156764819
3-(3-propylphenyl)pentan-3-ol
CID 116542305
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol
CID 104545017
1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
CID 91471137

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol?
The IUPAC name of 4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol (CID 116546296) is 4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol.
What is the SMILES notation for 4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol?
The canonical SMILES for 4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol is CCCc1cccc(C(C)(O)CCNCC(C)C)c1.
What is the InChIKey of 4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol?
The InChIKey is PQJXNNXANHLYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-15-8-6-9-16(12-15)17(4,19)10-11-18-13-14(2)3/h6,8-9,12,14,18-19H,5,7,10-11,13H2,1-4H3.
What are the key properties of 4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol?
4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol has a molecular weight of 263.43 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol is sourced from PubChem (CID 116546296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).