N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline

C19H26N2 — CID 62135526

IUPACN-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
SMILESCCNCc1ccc(N(CC)Cc2ccccc2)cc1C
InChIInChI=1S/C19H26N2/c1-4-20-14-18-11-12-19(13-16(18)3)21(5-2)15-17-9-7-6-8-10-17/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyHPBJEWABVZUDTR-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.13
Rot. Bonds7

About N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline

N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline (PubChem CID 62135526) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
PubChem CID62135526
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
SMILESCCNCc1ccc(N(CC)Cc2ccccc2)cc1C
InChIInChI=1S/C19H26N2/c1-4-20-14-18-11-12-19(13-16(18)3)21(5-2)15-17-9-7-6-8-10-17/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyHPBJEWABVZUDTR-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 62136400
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105388950
N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline
CID 63553268
N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429303
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906
4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline
CID 62135360
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
N-[(4-benzylsulfanyl-2-methylphenyl)methyl]ethanamine
CID 63806980
N,N-dibenzyl-4-[[4-(dibenzylamino)-2-(trifluoromethyl)phenyl]methyl]-3-methylaniline
CID 139990550
N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
CID 63551327
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline?
The IUPAC name of N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline (CID 62135526) is N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline.
What is the SMILES notation for N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline?
The canonical SMILES for N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline is CCNCc1ccc(N(CC)Cc2ccccc2)cc1C.
What is the InChIKey of N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline?
The InChIKey is HPBJEWABVZUDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-20-14-18-11-12-19(13-16(18)3)21(5-2)15-17-9-7-6-8-10-17/h6-13,20H,4-5,14-15H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline?
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline has a molecular weight of 282.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline is sourced from PubChem (CID 62135526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).