2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine

C16H19ClN2 — CID 43587745

IUPAC2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCCN(Cc1ccccc1C)c1ccc(N)cc1Cl
InChIInChI=1S/C16H19ClN2/c1-3-19(11-13-7-5-4-6-12(13)2)16-9-8-14(18)10-15(16)17/h4-10H,3,11,18H2,1-2H3
InChIKeyQLCYUDXZCDZNHQ-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.26
Rot. Bonds4

About 2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine

2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine (PubChem CID 43587745) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
PubChem CID43587745
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
SMILESCCN(Cc1ccccc1C)c1ccc(N)cc1Cl
InChIInChI=1S/C16H19ClN2/c1-3-19(11-13-7-5-4-6-12(13)2)16-9-8-14(18)10-15(16)17/h4-10H,3,11,18H2,1-2H3
InChIKeyQLCYUDXZCDZNHQ-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587740
2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
CID 29039749
1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587749
3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587735
3-bromo-4-[(N-ethyl-2-methylanilino)methyl]aniline
CID 60797264
4-(aminomethyl)-2-bromo-N-ethyl-N-[(2-methylphenyl)methyl]aniline
CID 82793403
2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
CID 62475354
4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
CID 43587748
5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 80725020
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958
3-N-[(2,3-dichlorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 107306757

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine (CID 43587745) is 2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine is CCN(Cc1ccccc1C)c1ccc(N)cc1Cl.
What is the InChIKey of 2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is QLCYUDXZCDZNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-19(11-13-7-5-4-6-12(13)2)16-9-8-14(18)10-15(16)17/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine?
2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 43587745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).