1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol

C14H22N2O — CID 63877706

IUPAC1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
SMILESCC1CC1CN(C)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-10-6-12(10)8-16(2)9-14(17)11-4-3-5-13(15)7-11/h3-5,7,10,12,14,17H,6,8-9,15H2,1-2H3
InChIKeyXPJNZUGMBIMFTM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.89
Rot. Bonds5

About 1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol

1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol (PubChem CID 63877706) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
PubChem CID63877706
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
SMILESCC1CC1CN(C)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-10-6-12(10)8-16(2)9-14(17)11-4-3-5-13(15)7-11/h3-5,7,10,12,14,17H,6,8-9,15H2,1-2H3
InChIKeyXPJNZUGMBIMFTM-UHFFFAOYSA-N
XLogP1.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 62265077
4-[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 113499514
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 107521321
1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 82732340
1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol
CID 55055156
4-[[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]methyl]oxan-4-ol
CID 114948452
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63879392
1-(3-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 55055591
3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine
CID 65015369

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol (CID 63877706) is 1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol is CC1CC1CN(C)CC(O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol?
The InChIKey is XPJNZUGMBIMFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-12(10)8-16(2)9-14(17)11-4-3-5-13(15)7-11/h3-5,7,10,12,14,17H,6,8-9,15H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol?
1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol is sourced from PubChem (CID 63877706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).