4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline

C16H25ClN2 — CID 114851509

IUPAC4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline
SMILESCCCNCc1cc(Cl)ccc1N(C)CC1CC1C
InChIInChI=1S/C16H25ClN2/c1-4-7-18-10-13-9-15(17)5-6-16(13)19(3)11-14-8-12(14)2/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3
InChIKeyLDBRLIKBAYCAQM-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.93
Rot. Bonds7

About 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline

4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline (PubChem CID 114851509) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline
PubChem CID114851509
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline
SMILESCCCNCc1cc(Cl)ccc1N(C)CC1CC1C
InChIInChI=1S/C16H25ClN2/c1-4-7-18-10-13-9-15(17)5-6-16(13)19(3)11-14-8-12(14)2/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3
InChIKeyLDBRLIKBAYCAQM-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 114851500
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
4-chloro-N,N-bis(cyclopropylmethyl)-2-(propylaminomethyl)aniline
CID 114851666
4-chloro-N-(2,2-difluoroethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114853665
4-chloro-N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)aniline
CID 114851544
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 114848185
4-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 114849913
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
N'-[4-chloro-2-(propylaminomethyl)phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995199
3-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916871
4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylaminomethyl)aniline
CID 114850346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline?
The IUPAC name of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline (CID 114851509) is 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline.
What is the SMILES notation for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline?
The canonical SMILES for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline is CCCNCc1cc(Cl)ccc1N(C)CC1CC1C.
What is the InChIKey of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline?
The InChIKey is LDBRLIKBAYCAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-7-18-10-13-9-15(17)5-6-16(13)19(3)11-14-8-12(14)2/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline?
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline has a molecular weight of 280.84 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylaminomethyl)aniline is sourced from PubChem (CID 114851509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).