1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine

C14H19Cl2NS — CID 114115787

IUPAC1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
SMILESCSC1(CNCc2ccc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C14H19Cl2NS/c1-18-14(6-2-3-7-14)10-17-9-11-4-5-12(15)8-13(11)16/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyGIPLEOQBXFWFAW-UHFFFAOYSA-N
MW304.29 g/mol
LogP4.76
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine

1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine (PubChem CID 114115787) has the molecular formula C14H19Cl2NS and a molecular weight of 304.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
PubChem CID114115787
Molecular FormulaC14H19Cl2NS
Molecular Weight304.29 g/mol
Exact Mass303.06
IUPAC Name1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
SMILESCSC1(CNCc2ccc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C14H19Cl2NS/c1-18-14(6-2-3-7-14)10-17-9-11-4-5-12(15)8-13(11)16/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyGIPLEOQBXFWFAW-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 115363288
1-(2-chloro-6-fluorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115807
2-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenol
CID 107267118
1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242301
1-(3-chloro-2-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267547
1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
CID 114115868
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 107267050
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
N-[(2,4-dichlorophenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664557
1-(2,4-dinitrophenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107272008
tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243334
3-fluoro-4-[[(1-methylsulfanylcyclopropyl)methylamino]methyl]benzonitrile
CID 107267339

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine (CID 114115787) is 1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine is CSC1(CNCc2ccc(Cl)cc2Cl)CCCC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The InChIKey is GIPLEOQBXFWFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NS/c1-18-14(6-2-3-7-14)10-17-9-11-4-5-12(15)8-13(11)16/h4-5,8,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine has a molecular weight of 304.29 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 114115787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).