2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline

C16H27ClN2 — CID 63533729

IUPAC2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
SMILESCCNC(C)c1ccc(N(C)C(CC)CC)c(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-6-14(7-2)19(5)16-10-9-13(11-15(16)17)12(4)18-8-3/h9-12,14,18H,6-8H2,1-5H3
InChIKeyLCCXYCWYWUIJHY-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.64
Rot. Bonds7

About 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline

2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline (PubChem CID 63533729) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
PubChem CID63533729
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
SMILESCCNC(C)c1ccc(N(C)C(CC)CC)c(Cl)c1
InChIInChI=1S/C16H27ClN2/c1-6-14(7-2)19(5)16-10-9-13(11-15(16)17)12(4)18-8-3/h9-12,14,18H,6-8H2,1-5H3
InChIKeyLCCXYCWYWUIJHY-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 55225305
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660620
2-chloro-N-(3,3-dimethylbutan-2-yl)-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 63533449
N,N-dibutyl-2-chloro-4-[1-(ethylamino)ethyl]aniline
CID 63532224
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660567
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylphenyl)aniline
CID 63534015
2-chloro-4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-propylaniline
CID 63533725
2-chloro-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62908849
2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63533268
2-chloro-N-methyl-4-[1-(methylamino)ethyl]-N-(4-methylpentan-2-yl)aniline
CID 55223220
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
2-chloro-N-(cyclobutylmethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 107399202

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline?
The IUPAC name of 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline (CID 63533729) is 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline.
What is the SMILES notation for 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline?
The canonical SMILES for 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline is CCNC(C)c1ccc(N(C)C(CC)CC)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline?
The InChIKey is LCCXYCWYWUIJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-6-14(7-2)19(5)16-10-9-13(11-15(16)17)12(4)18-8-3/h9-12,14,18H,6-8H2,1-5H3.
What are the key properties of 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline?
2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline has a molecular weight of 282.86 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline is sourced from PubChem (CID 63533729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).