N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline

C17H29ClN2 — CID 114848070

IUPACN-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline
SMILESCCC(C)N(CC)c1cc(Cl)ccc1CNCC(C)C
InChIInChI=1S/C17H29ClN2/c1-6-14(5)20(7-2)17-10-16(18)9-8-15(17)12-19-11-13(3)4/h8-10,13-14,19H,6-7,11-12H2,1-5H3
InChIKeyQAOZRITZHQUPGN-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.71
Rot. Bonds8

About N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline

N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline (PubChem CID 114848070) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline
PubChem CID114848070
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC NameN-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline
SMILESCCC(C)N(CC)c1cc(Cl)ccc1CNCC(C)C
InChIInChI=1S/C17H29ClN2/c1-6-14(5)20(7-2)17-10-16(18)9-8-15(17)12-19-11-13(3)4/h8-10,13-14,19H,6-7,11-12H2,1-5H3
InChIKeyQAOZRITZHQUPGN-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline 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-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline
CID 114850215
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114853034
5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline
CID 114852451
2-(bromomethyl)-5-chloro-N-ethyl-N-propan-2-ylaniline
CID 107079890
N-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864701
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
[4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 114845738
4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850364
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092
N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551148
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline (CID 114848070) is N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline is CCC(C)N(CC)c1cc(Cl)ccc1CNCC(C)C.
What is the InChIKey of N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline?
The InChIKey is QAOZRITZHQUPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-6-14(5)20(7-2)17-10-16(18)9-8-15(17)12-19-11-13(3)4/h8-10,13-14,19H,6-7,11-12H2,1-5H3.
What are the key properties of N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline?
N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline has a molecular weight of 296.89 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 114848070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).