2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol

C17H29NO — CID 115135445

IUPAC2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol
SMILESCC(C)Cc1ccc(CCNCC(C)(C)CO)cc1
InChIInChI=1S/C17H29NO/c1-14(2)11-16-7-5-15(6-8-16)9-10-18-12-17(3,4)13-19/h5-8,14,18-19H,9-13H2,1-4H3
InChIKeyJNMAQQKTUGCAPI-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.04
Rot. Bonds8

About 2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol

2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol (PubChem CID 115135445) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol
PubChem CID115135445
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol
SMILESCC(C)Cc1ccc(CCNCC(C)(C)CO)cc1
InChIInChI=1S/C17H29NO/c1-14(2)11-16-7-5-15(6-8-16)9-10-18-12-17(3,4)13-19/h5-8,14,18-19H,9-13H2,1-4H3
InChIKeyJNMAQQKTUGCAPI-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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

3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414344
3-[2-(4-ethylsulfanylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135480
[2-[4-(2-methylpropyl)phenyl]ethylamino]methanethiol
CID 115228211
2-[[2-methyl-2-[4-(2-methylpropyl)phenyl]propyl]amino]ethanol
CID 115216500
2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
CID 81410840
1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one
CID 115234971
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414337
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
1-[[2-[4-(2-methylpropyl)phenyl]ethylamino]methyl]cyclopropan-1-amine
CID 115256889
N'-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200137
N,3,3-trimethyl-5-[4-(2-methylpropyl)phenyl]pentan-1-amine
CID 65304916
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol (CID 115135445) is 2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol is CC(C)Cc1ccc(CCNCC(C)(C)CO)cc1.
What is the InChIKey of 2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol?
The InChIKey is JNMAQQKTUGCAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)11-16-7-5-15(6-8-16)9-10-18-12-17(3,4)13-19/h5-8,14,18-19H,9-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol?
2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol is sourced from PubChem (CID 115135445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).