1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol

C13H22N2O — CID 115121142

IUPAC1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol
SMILESCc1ccc(C(C)C)cc1NCC(O)CN
InChIInChI=1S/C13H22N2O/c1-9(2)11-5-4-10(3)13(6-11)15-8-12(16)7-14/h4-6,9,12,15-16H,7-8,14H2,1-3H3
InChIKeyQXHWPSFDNSXMFD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.85
Rot. Bonds5

About 1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol

1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol (PubChem CID 115121142) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol
PubChem CID115121142
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol
SMILESCc1ccc(C(C)C)cc1NCC(O)CN
InChIInChI=1S/C13H22N2O/c1-9(2)11-5-4-10(3)13(6-11)15-8-12(16)7-14/h4-6,9,12,15-16H,7-8,14H2,1-3H3
InChIKeyQXHWPSFDNSXMFD-UHFFFAOYSA-N
XLogP1.85
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol
CID 115250545
1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
CID 115121186
2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 115254803
3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
4-methyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205162
(2-methyl-5-propan-2-ylphenyl)hydrazine;hydrochloride
CID 155977870
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
5-(2-methyl-5-propan-2-ylanilino)pentan-2-one
CID 115236245
2-methyl-4-(2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115220542
1-(2-bromo-4-propan-2-ylanilino)-3-chloropropan-2-ol
CID 168636569
2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile
CID 115233811
1-[(2-methyl-5-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242747

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol?
The IUPAC name of 1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol (CID 115121142) is 1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol?
The canonical SMILES for 1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol is Cc1ccc(C(C)C)cc1NCC(O)CN.
What is the InChIKey of 1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol?
The InChIKey is QXHWPSFDNSXMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)11-5-4-10(3)13(6-11)15-8-12(16)7-14/h4-6,9,12,15-16H,7-8,14H2,1-3H3.
What are the key properties of 1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol?
1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol is sourced from PubChem (CID 115121142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).