1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol

C15H25NO — CID 115729117

IUPAC1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol
SMILESCCC(O)CCNC(C)c1cc(C)ccc1C
InChIInChI=1S/C15H25NO/c1-5-14(17)8-9-16-13(4)15-10-11(2)6-7-12(15)3/h6-7,10,13-14,16-17H,5,8-9H2,1-4H3
InChIKeyRVHQVVNUFMTMBR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.12
Rot. Bonds6

About 1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol

1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol (PubChem CID 115729117) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol
PubChem CID115729117
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol
SMILESCCC(O)CCNC(C)c1cc(C)ccc1C
InChIInChI=1S/C15H25NO/c1-5-14(17)8-9-16-13(4)15-10-11(2)6-7-12(15)3/h6-7,10,13-14,16-17H,5,8-9H2,1-4H3
InChIKeyRVHQVVNUFMTMBR-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 115579678
2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 103781596
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropan-1-amine
CID 43081126
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262
2-(2,5-dimethylphenyl)hexan-3-ol
CID 83050609
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 112700053
2-[2-[1-(2,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235967
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983887
4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol
CID 43732505

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol (CID 115729117) is 1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol is CCC(O)CCNC(C)c1cc(C)ccc1C.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol?
The InChIKey is RVHQVVNUFMTMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-14(17)8-9-16-13(4)15-10-11(2)6-7-12(15)3/h6-7,10,13-14,16-17H,5,8-9H2,1-4H3.
What are the key properties of 1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol?
1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol has a molecular weight of 235.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol is sourced from PubChem (CID 115729117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).