N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline

C17H21ClN2 — CID 102662903

IUPACN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
SMILESCCN(Cc1ccc(CN)cc1Cl)c1ccc(C)cc1
InChIInChI=1S/C17H21ClN2/c1-3-20(16-8-4-13(2)5-9-16)12-15-7-6-14(11-19)10-17(15)18/h4-10H,3,11-12,19H2,1-2H3
InChIKeyWZRHFTWZOORCQN-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.13
Rot. Bonds5

About N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline

N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline (PubChem CID 102662903) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
PubChem CID102662903
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
SMILESCCN(Cc1ccc(CN)cc1Cl)c1ccc(C)cc1
InChIInChI=1S/C17H21ClN2/c1-3-20(16-8-4-13(2)5-9-16)12-15-7-6-14(11-19)10-17(15)18/h4-10H,3,11-12,19H2,1-2H3
InChIKeyWZRHFTWZOORCQN-UHFFFAOYSA-N
XLogP4.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline
CID 62003173
N'-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991694
2-chloro-6-[(N-ethyl-4-methylanilino)methyl]phenol
CID 112616167
4-[(N-ethyl-4-methylanilino)methyl]-3-fluoroaniline
CID 64768076
3-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]propan-1-ol
CID 102663095
4-(aminomethyl)-3-chloro-N-ethyl-N-(pyridin-4-ylmethyl)aniline
CID 62944857
1-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]-2-methylpropan-2-ol
CID 102663034
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
N-[(2-chloro-5-nitrophenyl)methyl]-N-ethyl-4-methylaniline
CID 63479547
methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-ethylamino]acetate
CID 102662972
N-ethyl-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-4-methylaniline
CID 107454589

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline?
The IUPAC name of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline (CID 102662903) is N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline is CCN(Cc1ccc(CN)cc1Cl)c1ccc(C)cc1.
What is the InChIKey of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline?
The InChIKey is WZRHFTWZOORCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-3-20(16-8-4-13(2)5-9-16)12-15-7-6-14(11-19)10-17(15)18/h4-10H,3,11-12,19H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline?
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline has a molecular weight of 288.82 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline is sourced from PubChem (CID 102662903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).