N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine

C14H19Cl2NS — CID 114121479

IUPACN-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCCC1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2NS/c1-2-18-14-5-3-4-13(14)17-9-10-6-11(15)8-12(16)7-10/h6-8,13-14,17H,2-5,9H2,1H3
InChIKeyYICCGVBXAKWEDC-UHFFFAOYSA-N
MW304.29 g/mol
LogP4.76
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine

N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine (PubChem CID 114121479) has the molecular formula C14H19Cl2NS and a molecular weight of 304.29 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
PubChem CID114121479
Molecular FormulaC14H19Cl2NS
Molecular Weight304.29 g/mol
Exact Mass303.06
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCCC1NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2NS/c1-2-18-14-5-3-4-13(14)17-9-10-6-11(15)8-12(16)7-10/h6-8,13-14,17H,2-5,9H2,1H3
InChIKeyYICCGVBXAKWEDC-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-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121381
N-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol
CID 114121370
N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121487
5-[[(2-ethylsulfanylcyclopentyl)amino]methyl]thiophene-3-carbonitrile
CID 114121508
cis-(1R,2S)-2-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 124681049
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
cis-(1R,2S)-2-ethylsulfanyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 99790713
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-benzyl-2-[[(1R,2S)-2-ethylsulfanylcyclopentyl]amino]acetamide
CID 124681039
2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
CID 103804841
N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
CID 130727776

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine (CID 114121479) is N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine is CCSC1CCCC1NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
The InChIKey is YICCGVBXAKWEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NS/c1-2-18-14-5-3-4-13(14)17-9-10-6-11(15)8-12(16)7-10/h6-8,13-14,17H,2-5,9H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine?
N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine 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 N-[(3,5-dichlorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 114121479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).