2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol

C16H28N2O — CID 62123309

IUPAC2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1ccc(N(CCO)C(C)C)c(C)c1
InChIInChI=1S/C16H28N2O/c1-5-8-17-12-15-6-7-16(14(4)11-15)18(9-10-19)13(2)3/h6-7,11,13,17,19H,5,8-10,12H2,1-4H3
InChIKeyRSVJPOZCIAJAPX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.70
Rot. Bonds8

About 2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol

2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol (PubChem CID 62123309) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
PubChem CID62123309
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1ccc(N(CCO)C(C)C)c(C)c1
InChIInChI=1S/C16H28N2O/c1-5-8-17-12-15-6-7-16(14(4)11-15)18(9-10-19)13(2)3/h6-7,11,13,17,19H,5,8-10,12H2,1-4H3
InChIKeyRSVJPOZCIAJAPX-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
CID 63070701
2-[2-chloro-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 81148491
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
CID 62122948
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642
3-[N-cyclobutyl-2-methyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864620
3-[N-propan-2-yl-4-(propylaminomethyl)anilino]propan-1-ol
CID 54994250
2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
CID 55040171
2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190030
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline
CID 60930279

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol (CID 62123309) is 2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol is CCCNCc1ccc(N(CCO)C(C)C)c(C)c1.
What is the InChIKey of 2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol?
The InChIKey is RSVJPOZCIAJAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-8-17-12-15-6-7-16(14(4)11-15)18(9-10-19)13(2)3/h6-7,11,13,17,19H,5,8-10,12H2,1-4H3.
What are the key properties of 2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol?
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol has a molecular weight of 264.41 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol is sourced from PubChem (CID 62123309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).