2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline

C12H19ClN2 — CID 43265322

IUPAC2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
SMILESCCN(Cc1ccc(Cl)c(N)c1)C(C)C
InChIInChI=1S/C12H19ClN2/c1-4-15(9(2)3)8-10-5-6-11(13)12(14)7-10/h5-7,9H,4,8,14H2,1-3H3
InChIKeyQKQNGXPQPPISPL-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.15
Rot. Bonds4

About 2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline

2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline (PubChem CID 43265322) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
PubChem CID43265322
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
SMILESCCN(Cc1ccc(Cl)c(N)c1)C(C)C
InChIInChI=1S/C12H19ClN2/c1-4-15(9(2)3)8-10-5-6-11(13)12(14)7-10/h5-7,9H,4,8,14H2,1-3H3
InChIKeyQKQNGXPQPPISPL-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[[butan-2-yl(ethyl)amino]methyl]-2-chloroaniline
CID 43274087
2-[(3-amino-4-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 54988874
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
CID 63188681
2-chloro-5-[[methyl(4-methylpentan-2-yl)amino]methyl]aniline
CID 55001079
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
2-chloro-5-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 62979816
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol
CID 107693937
2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline
CID 63697878
3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294
1-(3-amino-4-chlorophenyl)propane-2-sulfonamide
CID 91050582
N-(2-bromoethyl)-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 80670954
2-chloro-5-(4-ethylphenyl)aniline
CID 62909757

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline?
The IUPAC name of 2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline (CID 43265322) is 2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline is CCN(Cc1ccc(Cl)c(N)c1)C(C)C.
What is the InChIKey of 2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline?
The InChIKey is QKQNGXPQPPISPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-4-15(9(2)3)8-10-5-6-11(13)12(14)7-10/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline?
2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline has a molecular weight of 226.75 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline is sourced from PubChem (CID 43265322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).