4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol

C14H23NO2 — CID 66092261

IUPAC4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCOc1ccccc1C(C)NCC(C)CCO
InChIInChI=1S/C14H23NO2/c1-11(8-9-16)10-15-12(2)13-6-4-5-7-14(13)17-3/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyJLODHNHHQKFANR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.36
Rot. Bonds7

About 4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol

4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 66092261) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID66092261
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
SMILESCOc1ccccc1C(C)NCC(C)CCO
InChIInChI=1S/C14H23NO2/c1-11(8-9-16)10-15-12(2)13-6-4-5-7-14(13)17-3/h4-7,11-12,15-16H,8-10H2,1-3H3
InChIKeyJLODHNHHQKFANR-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107440
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine
CID 81397712
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81387448
2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 103257726
3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
CID 103787460
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
4-[1-(2,4-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 66092240
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol (CID 66092261) is 4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol is COc1ccccc1C(C)NCC(C)CCO.
What is the InChIKey of 4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is JLODHNHHQKFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(8-9-16)10-15-12(2)13-6-4-5-7-14(13)17-3/h4-7,11-12,15-16H,8-10H2,1-3H3.
What are the key properties of 4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol?
4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66092261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).