2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol

C14H24N2O — CID 113475937

IUPAC2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol
SMILESCCNCc1ccc(N(C)C(C)(C)CO)cc1
InChIInChI=1S/C14H24N2O/c1-5-15-10-12-6-8-13(9-7-12)16(4)14(2,3)11-17/h6-9,15,17H,5,10-11H2,1-4H3
InChIKeyWFTNAQPAOKICGP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.00
Rot. Bonds6

About 2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol

2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol (PubChem CID 113475937) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol
PubChem CID113475937
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol
SMILESCCNCc1ccc(N(C)C(C)(C)CO)cc1
InChIInChI=1S/C14H24N2O/c1-5-15-10-12-6-8-13(9-7-12)16(4)14(2,3)11-17/h6-9,15,17H,5,10-11H2,1-4H3
InChIKeyWFTNAQPAOKICGP-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(N-methyl-4-propylanilino)propan-1-ol
CID 115133232
4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
2-methyl-2-(N-methyl-4-phenylanilino)propan-1-ol
CID 115133254
2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol
CID 81412116
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
4-(ethylaminomethyl)-N-methyl-N-pentan-2-ylaniline
CID 43572395
2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
CID 114243255
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021
[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
CID 113365773
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63964432

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol (CID 113475937) is 2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol is CCNCc1ccc(N(C)C(C)(C)CO)cc1.
What is the InChIKey of 2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol?
The InChIKey is WFTNAQPAOKICGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-15-10-12-6-8-13(9-7-12)16(4)14(2,3)11-17/h6-9,15,17H,5,10-11H2,1-4H3.
What are the key properties of 2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol?
2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol is sourced from PubChem (CID 113475937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).