3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol

C17H29NO2 — CID 103787341

IUPAC3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H29NO2/c1-4-5-16(10-11-19)13-18-14(2)12-15-6-8-17(20-3)9-7-15/h6-9,14,16,18-19H,4-5,10-13H2,1-3H3
InChIKeyJHSJNZZVOCAKBD-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.01
Rot. Bonds10

About 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol

3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol (PubChem CID 103787341) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol
PubChem CID103787341
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC(C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H29NO2/c1-4-5-16(10-11-19)13-18-14(2)12-15-6-8-17(20-3)9-7-15/h6-9,14,16,18-19H,4-5,10-13H2,1-3H3
InChIKeyJHSJNZZVOCAKBD-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide
CID 103722806
3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
CID 106114426
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
CID 115719297
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
CID 62198537

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol (CID 103787341) is 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol is CCCC(CCO)CNC(C)Cc1ccc(OC)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol?
The InChIKey is JHSJNZZVOCAKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-5-16(10-11-19)13-18-14(2)12-15-6-8-17(20-3)9-7-15/h6-9,14,16,18-19H,4-5,10-13H2,1-3H3.
What are the key properties of 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol?
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]hexan-1-ol is sourced from PubChem (CID 103787341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).