2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol

C16H28N2O — CID 62135723

IUPAC2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1ccc(N(CCC)CCO)cc1C
InChIInChI=1S/C16H28N2O/c1-4-8-17-13-15-6-7-16(12-14(15)3)18(9-5-2)10-11-19/h6-7,12,17,19H,4-5,8-11,13H2,1-3H3
InChIKeyPFRSMJWZXUMWLD-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.70
Rot. Bonds9

About 2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol

2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol (PubChem CID 62135723) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
PubChem CID62135723
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1ccc(N(CCC)CCO)cc1C
InChIInChI=1S/C16H28N2O/c1-4-8-17-13-15-6-7-16(12-14(15)3)18(9-5-2)10-11-19/h6-7,12,17,19H,4-5,8-11,13H2,1-3H3
InChIKeyPFRSMJWZXUMWLD-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
CID 62128436
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744
2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 81273324
2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
CID 62129619
N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 62134332
N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
CID 63551327
2-[3-bromo-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 114060727
2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
CID 54879735
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline;(4-ethyl-2-methylphenyl)methanamine
CID 145098743
4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline
CID 62135693
N-butyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-3-methylaniline
CID 63058733
2-(4-methyl-3-nitro-N-propylanilino)ethanol
CID 62911117

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol (CID 62135723) is 2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol is CCCNCc1ccc(N(CCC)CCO)cc1C.
What is the InChIKey of 2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol?
The InChIKey is PFRSMJWZXUMWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-8-17-13-15-6-7-16(12-14(15)3)18(9-5-2)10-11-19/h6-7,12,17,19H,4-5,8-11,13H2,1-3H3.
What are the key properties of 2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol?
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol has a molecular weight of 264.41 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol is sourced from PubChem (CID 62135723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).