2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol

C15H25NO — CID 115250545

IUPAC2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol
SMILESCCC(CO)CNc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H25NO/c1-5-13(10-17)9-16-15-8-14(11(2)3)7-6-12(15)4/h6-8,11,13,16-17H,5,9-10H2,1-4H3
InChIKeyUXOSEKYNNGPODQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.55
Rot. Bonds6

About 2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol

2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol (PubChem CID 115250545) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol
PubChem CID115250545
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol
SMILESCCC(CO)CNc1cc(C(C)C)ccc1C
InChIInChI=1S/C15H25NO/c1-5-13(10-17)9-16-15-8-14(11(2)3)7-6-12(15)4/h6-8,11,13,16-17H,5,9-10H2,1-4H3
InChIKeyUXOSEKYNNGPODQ-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-methyl-N'-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 115254803
1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol
CID 115121142
3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
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
2,2-dimethyl-3-(2-methyl-5-propan-2-ylanilino)propanenitrile
CID 115233811
2-(hydroxymethyl)-3-methyl-N-(2-methyl-5-propan-2-ylphenyl)butanamide
CID 115187173
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-(2-ethylbutyl)-2-methylaniline
CID 29290197
1-[(2-methyl-5-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242747

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol?
The IUPAC name of 2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol (CID 115250545) is 2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol is CCC(CO)CNc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol?
The InChIKey is UXOSEKYNNGPODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13(10-17)9-16-15-8-14(11(2)3)7-6-12(15)4/h6-8,11,13,16-17H,5,9-10H2,1-4H3.
What are the key properties of 2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol?
2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-propan-2-ylanilino)methyl]butan-1-ol is sourced from PubChem (CID 115250545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).