1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine

C11H16ClNS — CID 81160889

IUPAC1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine
SMILESCCCSc1ccc(CNC)cc1Cl
InChIInChI=1S/C11H16ClNS/c1-3-6-14-11-5-4-9(8-13-2)7-10(11)12/h4-5,7,13H,3,6,8H2,1-2H3
InChIKeyWTMNDMNHGOXAKK-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine

1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine (PubChem CID 81160889) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine
PubChem CID81160889
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine
SMILESCCCSc1ccc(CNC)cc1Cl
InChIInChI=1S/C11H16ClNS/c1-3-6-14-11-5-4-9(8-13-2)7-10(11)12/h4-5,7,13H,3,6,8H2,1-2H3
InChIKeyWTMNDMNHGOXAKK-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-butylsulfanyl-3-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 81160386
3-[2-chloro-4-(ethylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 81160613
N-[[3-chloro-4-(2-methoxyethylsulfanyl)phenyl]methyl]ethanamine
CID 81159850
(3-chloro-4-pentylsulfanylphenyl)methanol
CID 107762038
N-[[3-chloro-4-(3-methylbutylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107761895
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenyl]sulfanylethanol
CID 81159397
N-[[3-chloro-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 81160678
1-[3-chloro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-N-methylmethanamine
CID 81159984
1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 142068001
2-chloro-4-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 81149224
1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride
CID 132843394
2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 81149144

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine (CID 81160889) is 1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine is CCCSc1ccc(CNC)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is WTMNDMNHGOXAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-3-6-14-11-5-4-9(8-13-2)7-10(11)12/h4-5,7,13H,3,6,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine?
1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine has a molecular weight of 229.78 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 81160889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).