4-amino-4-(2,4-dimethylphenyl)pentan-1-ol

C13H21NO — CID 116861683

IUPAC4-amino-4-(2,4-dimethylphenyl)pentan-1-ol
SMILESCc1ccc(C(C)(N)CCCO)c(C)c1
InChIInChI=1S/C13H21NO/c1-10-5-6-12(11(2)9-10)13(3,14)7-4-8-15/h5-6,9,15H,4,7-8,14H2,1-3H3
InChIKeyFOEUJNXXRPRPSB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds4

About 4-amino-4-(2,4-dimethylphenyl)pentan-1-ol

4-amino-4-(2,4-dimethylphenyl)pentan-1-ol (PubChem CID 116861683) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-amino-4-(2,4-dimethylphenyl)pentan-1-ol.

Molecular Properties

Compound Name4-amino-4-(2,4-dimethylphenyl)pentan-1-ol
PubChem CID116861683
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-amino-4-(2,4-dimethylphenyl)pentan-1-ol
SMILESCc1ccc(C(C)(N)CCCO)c(C)c1
InChIInChI=1S/C13H21NO/c1-10-5-6-12(11(2)9-10)13(3,14)7-4-8-15/h5-6,9,15H,4,7-8,14H2,1-3H3
InChIKeyFOEUJNXXRPRPSB-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(2-chloro-4-methylphenyl)butan-1-ol
CID 130615118
2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine
CID 114833811
2-(2,5-dimethylphenyl)dodecan-2-amine
CID 63411602
(3S)-3-amino-3-(2-iodo-5-methylphenyl)butan-1-ol
CID 130664778
ethyl 3-amino-3-(2,4-dimethylphenyl)butanoate
CID 79848686
4-amino-4-(2,5-difluorophenyl)pentan-1-ol
CID 116861706
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
CID 130715029
3-(2,4-dimethylphenyl)-3-(ethylamino)butan-1-ol
CID 65235048
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
2-amino-2-(4-chloro-2-methylphenyl)propan-1-ol
CID 55270459
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273
4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol
CID 116861674

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2,4-dimethylphenyl)pentan-1-ol?
The IUPAC name of 4-amino-4-(2,4-dimethylphenyl)pentan-1-ol (CID 116861683) is 4-amino-4-(2,4-dimethylphenyl)pentan-1-ol.
What is the SMILES notation for 4-amino-4-(2,4-dimethylphenyl)pentan-1-ol?
The canonical SMILES for 4-amino-4-(2,4-dimethylphenyl)pentan-1-ol is Cc1ccc(C(C)(N)CCCO)c(C)c1.
What is the InChIKey of 4-amino-4-(2,4-dimethylphenyl)pentan-1-ol?
The InChIKey is FOEUJNXXRPRPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-5-6-12(11(2)9-10)13(3,14)7-4-8-15/h5-6,9,15H,4,7-8,14H2,1-3H3.
What are the key properties of 4-amino-4-(2,4-dimethylphenyl)pentan-1-ol?
4-amino-4-(2,4-dimethylphenyl)pentan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2,4-dimethylphenyl)pentan-1-ol is sourced from PubChem (CID 116861683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).