2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol

C17H30N2O — CID 63945933

IUPAC2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol
SMILESCCCCC(CC)Nc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C17H30N2O/c1-4-7-8-15(5-2)18-16-9-11-17(12-10-16)19(6-3)13-14-20/h9-12,15,18,20H,4-8,13-14H2,1-3H3
InChIKeyJNOPWBCFUKWXDT-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.89
Rot. Bonds10

About 2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol

2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol (PubChem CID 63945933) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol
PubChem CID63945933
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol
SMILESCCCCC(CC)Nc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C17H30N2O/c1-4-7-8-15(5-2)18-16-9-11-17(12-10-16)19(6-3)13-14-20/h9-12,15,18,20H,4-8,13-14H2,1-3H3
InChIKeyJNOPWBCFUKWXDT-UHFFFAOYSA-N
XLogP3.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
CID 54866191
4-N,4-N-diethyl-1-N-hexan-3-ylbenzene-1,4-diamine
CID 114079510
2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
CID 54866332
(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 107144336
2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 60945538
2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol
CID 102869200
2-[4-[ethyl(2-hydroxyethyl)amino]anilino]propanoic acid
CID 66174751
4-N,4-N-diethyl-1-N-heptan-2-ylbenzene-1,4-diamine
CID 43680104
(2S)-2-[4-[ethyl(propyl)amino]anilino]propanoic acid
CID 70186094
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide
CID 63944752
2-[N-(2-hydroxyethyl)-4-(pentan-2-ylamino)anilino]ethanol;isocyanic acid
CID 90888417

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol (CID 63945933) is 2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol is CCCCC(CC)Nc1ccc(N(CC)CCO)cc1.
What is the InChIKey of 2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol?
The InChIKey is JNOPWBCFUKWXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-7-8-15(5-2)18-16-9-11-17(12-10-16)19(6-3)13-14-20/h9-12,15,18,20H,4-8,13-14H2,1-3H3.
What are the key properties of 2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol?
2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol has a molecular weight of 278.44 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(heptan-3-ylamino)anilino]ethanol is sourced from PubChem (CID 63945933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).