3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol

C14H23NO — CID 81339355

IUPAC3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
SMILESCc1ccc(C(C)NC(C)CCO)c(C)c1
InChIInChI=1S/C14H23NO/c1-10-5-6-14(11(2)9-10)13(4)15-12(3)7-8-16/h5-6,9,12-13,15-16H,7-8H2,1-4H3
InChIKeyYQKYAZVDZLUYRM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.72
Rot. Bonds5

About 3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol

3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol (PubChem CID 81339355) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
PubChem CID81339355
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
SMILESCc1ccc(C(C)NC(C)CCO)c(C)c1
InChIInChI=1S/C14H23NO/c1-10-5-6-14(11(2)9-10)13(4)15-12(3)7-8-16/h5-6,9,12-13,15-16H,7-8H2,1-4H3
InChIKeyYQKYAZVDZLUYRM-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
CID 106023750
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine
CID 63449366
N-[1-(2,4-dimethylphenyl)ethyl]-3-methylpentan-2-amine
CID 63448845
5-methyl-2-[1-(6-methylheptan-2-ylamino)ethyl]phenol
CID 43099355
2-[1-(2,4-dimethylphenyl)ethylamino]butanoic acid
CID 115353088
3-[1-(2-bromo-4-fluorophenyl)ethylamino]butan-1-ol
CID 115722179
2-[1-(hexan-2-ylamino)ethyl]-5-methylphenol
CID 62196420
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
2-[1-[4-(dimethylamino)butan-2-ylamino]ethyl]-5-methylphenol
CID 54963614

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol (CID 81339355) is 3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol is Cc1ccc(C(C)NC(C)CCO)c(C)c1.
What is the InChIKey of 3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol?
The InChIKey is YQKYAZVDZLUYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-5-6-14(11(2)9-10)13(4)15-12(3)7-8-16/h5-6,9,12-13,15-16H,7-8H2,1-4H3.
What are the key properties of 3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol?
3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 81339355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).