4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline

C17H29ClN2 — CID 114850364

IUPAC4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1cc(Cl)ccc1N(C)CC(C)(C)C
InChIInChI=1S/C17H29ClN2/c1-13(2)10-19-11-14-9-15(18)7-8-16(14)20(6)12-17(3,4)5/h7-9,13,19H,10-12H2,1-6H3
InChIKeyAXSDZCDLJVCZFT-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.57
Rot. Bonds6

About 4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline

4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline (PubChem CID 114850364) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
PubChem CID114850364
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1cc(Cl)ccc1N(C)CC(C)(C)C
InChIInChI=1S/C17H29ClN2/c1-13(2)10-19-11-14-9-15(18)7-8-16(14)20(6)12-17(3,4)5/h7-9,13,19H,10-12H2,1-6H3
InChIKeyAXSDZCDLJVCZFT-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2,2-dimethylpropyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114850376
2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N,N-dimethylacetamide
CID 114848175
4-chloro-N-(3-methoxypropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850889
2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N-ethylacetamide
CID 114849464
[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
CID 114845501
N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline
CID 63552325
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092
N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine
CID 114852955
N-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864701
2-(2-aminopropyl)-5-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 114861429
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
N,4-dimethyl-2-[(2-methylpropylamino)methyl]-N-propylaniline
CID 114054951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of 4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline (CID 114850364) is 4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for 4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for 4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline is CC(C)CNCc1cc(Cl)ccc1N(C)CC(C)(C)C.
What is the InChIKey of 4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
The InChIKey is AXSDZCDLJVCZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-13(2)10-19-11-14-9-15(18)7-8-16(14)20(6)12-17(3,4)5/h7-9,13,19H,10-12H2,1-6H3.
What are the key properties of 4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline has a molecular weight of 296.89 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 114850364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).