1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol

C14H22N2O — CID 63954700

IUPAC1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
SMILESCCN(CC1CC1)CC(O)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-2-16(9-11-3-4-11)10-14(17)12-5-7-13(15)8-6-12/h5-8,11,14,17H,2-4,9-10,15H2,1H3
InChIKeyOUWMGNQFQIFIAT-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.03
Rot. Bonds6

About 1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol

1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol (PubChem CID 63954700) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
PubChem CID63954700
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
SMILESCCN(CC1CC1)CC(O)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-2-16(9-11-3-4-11)10-14(17)12-5-7-13(15)8-6-12/h5-8,11,14,17H,2-4,9-10,15H2,1H3
InChIKeyOUWMGNQFQIFIAT-UHFFFAOYSA-N
XLogP2.03
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.03
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-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434
1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
CID 62265226
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 63954429
2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 111382017
3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 63940446
1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 111118134
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 63955917
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol (CID 63954700) is 1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol is CCN(CC1CC1)CC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol?
The InChIKey is OUWMGNQFQIFIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-16(9-11-3-4-11)10-14(17)12-5-7-13(15)8-6-12/h5-8,11,14,17H,2-4,9-10,15H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol?
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol has a molecular weight of 234.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol is sourced from PubChem (CID 63954700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).