2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol

C16H26N2O2 — CID 63676661

IUPAC2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
SMILESCCCOc1cc(N(CCO)C2CCCC2)ccc1N
InChIInChI=1S/C16H26N2O2/c1-2-11-20-16-12-14(7-8-15(16)17)18(9-10-19)13-5-3-4-6-13/h7-8,12-13,19H,2-6,9-11,17H2,1H3
InChIKeyXLMGHXJDLIOVOL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.80
Rot. Bonds7

About 2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol

2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol (PubChem CID 63676661) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
PubChem CID63676661
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
SMILESCCCOc1cc(N(CCO)C2CCCC2)ccc1N
InChIInChI=1S/C16H26N2O2/c1-2-11-20-16-12-14(7-8-15(16)17)18(9-10-19)13-5-3-4-6-13/h7-8,12-13,19H,2-6,9-11,17H2,1H3
InChIKeyXLMGHXJDLIOVOL-UHFFFAOYSA-N
XLogP2.80
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.80
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

2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol
CID 63675494
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 113323912
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile
CID 102624116
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63879433
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine
CID 63676257
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol?
The IUPAC name of 2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol (CID 63676661) is 2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol.
What is the SMILES notation for 2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol?
The canonical SMILES for 2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol is CCCOc1cc(N(CCO)C2CCCC2)ccc1N.
What is the InChIKey of 2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol?
The InChIKey is XLMGHXJDLIOVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-11-20-16-12-14(7-8-15(16)17)18(9-10-19)13-5-3-4-6-13/h7-8,12-13,19H,2-6,9-11,17H2,1H3.
What are the key properties of 2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol?
2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol is sourced from PubChem (CID 63676661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).