2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline

C13H21ClN2 — CID 81149614

IUPAC2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
SMILESCCNCc1ccc(N(C)C(C)C)c(Cl)c1
InChIInChI=1S/C13H21ClN2/c1-5-15-9-11-6-7-13(12(14)8-11)16(4)10(2)3/h6-8,10,15H,5,9H2,1-4H3
InChIKeyCVUWKLWRGONLIQ-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.29
Rot. Bonds5

About 2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline

2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline (PubChem CID 81149614) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
PubChem CID81149614
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
SMILESCCNCc1ccc(N(C)C(C)C)c(Cl)c1
InChIInChI=1S/C13H21ClN2/c1-5-15-9-11-6-7-13(12(14)8-11)16(4)10(2)3/h6-8,10,15H,5,9H2,1-4H3
InChIKeyCVUWKLWRGONLIQ-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
CID 81148688
N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81149132
N-butan-2-yl-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148692
2-[2-chloro-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 81148491
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
2-chloro-4-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylaniline
CID 81143433
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 81146369
2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 81143432
N-[(3-bromophenyl)methyl]-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81148254
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
3-[2-chloro-4-[(2-methylpropylamino)methyl]-N-propan-2-ylanilino]propan-1-ol
CID 81143287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline?
The IUPAC name of 2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline (CID 81149614) is 2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline?
The canonical SMILES for 2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline is CCNCc1ccc(N(C)C(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline?
The InChIKey is CVUWKLWRGONLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-5-15-9-11-6-7-13(12(14)8-11)16(4)10(2)3/h6-8,10,15H,5,9H2,1-4H3.
What are the key properties of 2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline?
2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline has a molecular weight of 240.78 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 81149614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).