1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

C18H20ClN — CID 105052707

IUPAC1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1cc(C)cc(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H20ClN/c1-12-8-14(10-15(19)9-12)18(20-2)17-11-16(17)13-6-4-3-5-7-13/h3-10,16-18,20H,11H2,1-2H3
InChIKeyXIFFHEDMTMIKLU-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.71
Rot. Bonds4

About 1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine

1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (PubChem CID 105052707) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
PubChem CID105052707
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
SMILESCNC(c1cc(C)cc(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H20ClN/c1-12-8-14(10-15(19)9-12)18(20-2)17-11-16(17)13-6-4-3-5-7-13/h3-10,16-18,20H,11H2,1-2H3
InChIKeyXIFFHEDMTMIKLU-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052563
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052519
1-(3-ethylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105018905
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105398891
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052597
[(3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105200887
N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115855352
N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 114031727

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine (CID 105052707) is 1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is CNC(c1cc(C)cc(Cl)c1)C1CC1c1ccccc1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
The InChIKey is XIFFHEDMTMIKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-8-14(10-15(19)9-12)18(20-2)17-11-16(17)13-6-4-3-5-7-13/h3-10,16-18,20H,11H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine?
1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine has a molecular weight of 285.82 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105052707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).