4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol

C14H23NO2 — CID 111488563

IUPAC4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol
SMILESCc1ccccc1OCCN(C)CCC(C)O
InChIInChI=1S/C14H23NO2/c1-12-6-4-5-7-14(12)17-11-10-15(3)9-8-13(2)16/h4-7,13,16H,8-11H2,1-3H3
InChIKeyVOVFBYYCTTXPAT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.08
Rot. Bonds7

About 4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol

4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol (PubChem CID 111488563) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol
PubChem CID111488563
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol
SMILESCc1ccccc1OCCN(C)CCC(C)O
InChIInChI=1S/C14H23NO2/c1-12-6-4-5-7-14(12)17-11-10-15(3)9-8-13(2)16/h4-7,13,16H,8-11H2,1-3H3
InChIKeyVOVFBYYCTTXPAT-UHFFFAOYSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
CID 110908229
(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 92514457
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
N-cyclopropyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 8909311
N,3-dimethyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-1-amine
CID 62463446
3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35799341
2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838634
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 62843457
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]ethanamine
CID 28910618
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol (CID 111488563) is 4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol is Cc1ccccc1OCCN(C)CCC(C)O.
What is the InChIKey of 4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol?
The InChIKey is VOVFBYYCTTXPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12-6-4-5-7-14(12)17-11-10-15(3)9-8-13(2)16/h4-7,13,16H,8-11H2,1-3H3.
What are the key properties of 4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol?
4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol is sourced from PubChem (CID 111488563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).