1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol

C14H24N2O2 — CID 79384589

IUPAC1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc(OC)c(N)c1)CC(C)(C)O
InChIInChI=1S/C14H24N2O2/c1-5-16(10-14(2,3)17)9-11-6-7-13(18-4)12(15)8-11/h6-8,17H,5,9-10,15H2,1-4H3
InChIKeyGIGFRTUYHKENNH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.87
Rot. Bonds6

About 1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol

1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79384589) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79384589
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(Cc1ccc(OC)c(N)c1)CC(C)(C)O
InChIInChI=1S/C14H24N2O2/c1-5-16(10-14(2,3)17)9-11-6-7-13(18-4)12(15)8-11/h6-8,17H,5,9-10,15H2,1-4H3
InChIKeyGIGFRTUYHKENNH-UHFFFAOYSA-N
XLogP1.87
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 24714459
1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol
CID 78966629
2-[(3-amino-4-methoxyphenyl)methyl-benzylamino]ethanol
CID 62114410
1-[(4-chlorophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78962077
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433743
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 65338803
1-[(3-amino-4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 62333055
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115136999
4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43458882

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol (CID 79384589) is 1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol is CCN(Cc1ccc(OC)c(N)c1)CC(C)(C)O.
What is the InChIKey of 1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is GIGFRTUYHKENNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-16(10-14(2,3)17)9-11-6-7-13(18-4)12(15)8-11/h6-8,17H,5,9-10,15H2,1-4H3.
What are the key properties of 1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol?
1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-methoxyphenyl)methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).