3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline

C18H21ClN2 — CID 63551219

IUPAC3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2cccc(Cl)c2CNC2CC2)c1
InChIInChI=1S/C18H21ClN2/c1-13-5-3-6-15(11-13)21(2)18-8-4-7-17(19)16(18)12-20-14-9-10-14/h3-8,11,14,20H,9-10,12H2,1-2H3
InChIKeyLXACTLCHNFOPEA-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.67
Rot. Bonds5

About 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline

3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline (PubChem CID 63551219) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline
PubChem CID63551219
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2cccc(Cl)c2CNC2CC2)c1
InChIInChI=1S/C18H21ClN2/c1-13-5-3-6-15(11-13)21(2)18-8-4-7-17(19)16(18)12-20-14-9-10-14/h3-8,11,14,20H,9-10,12H2,1-2H3
InChIKeyLXACTLCHNFOPEA-UHFFFAOYSA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
N-[[2-chloro-6-(3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283118
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281893
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63552294
2-[3-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375220
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527133
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61431824
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
CID 114850525
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline?
The IUPAC name of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline (CID 63551219) is 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline?
The canonical SMILES for 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline is Cc1cccc(N(C)c2cccc(Cl)c2CNC2CC2)c1.
What is the InChIKey of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline?
The InChIKey is LXACTLCHNFOPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-13-5-3-6-15(11-13)21(2)18-8-4-7-17(19)16(18)12-20-14-9-10-14/h3-8,11,14,20H,9-10,12H2,1-2H3.
What are the key properties of 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline?
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline has a molecular weight of 300.83 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 63551219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).