3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol

C19H33NO — CID 106114426

IUPAC3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-6-18(11-12-21)14-20-16(4)19-9-7-17(8-10-19)13-15(2)3/h7-10,15-16,18,20-21H,5-6,11-14H2,1-4H3
InChIKeyKNEZYGGKNKICQJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.33
Rot. Bonds10

About 3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol

3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol (PubChem CID 106114426) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
PubChem CID106114426
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-6-18(11-12-21)14-20-16(4)19-9-7-17(8-10-19)13-15(2)3/h7-10,15-16,18,20-21H,5-6,11-14H2,1-4H3
InChIKeyKNEZYGGKNKICQJ-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol
CID 103787341
2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol
CID 106114744
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine
CID 63964174
2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine
CID 79538272
N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine
CID 55193146
3-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]butan-1-ol
CID 83177309
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile
CID 60647965
3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol
CID 106114233
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
(4S)-4-[[[(1R)-1-phenylethyl]amino]methyl]hept-1-en-2-ol
CID 90132701
3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
CID 103787460

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol (CID 106114426) is 3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol is CCCC(CCO)CNC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol?
The InChIKey is KNEZYGGKNKICQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-6-18(11-12-21)14-20-16(4)19-9-7-17(8-10-19)13-15(2)3/h7-10,15-16,18,20-21H,5-6,11-14H2,1-4H3.
What are the key properties of 3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol?
3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol has a molecular weight of 291.48 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol is sourced from PubChem (CID 106114426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).