N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine

C17H22ClNOS — CID 114792588

IUPACN-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(CSCc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H22ClNOS/c1-17(2,3)19-10-15-8-9-16(20-15)12-21-11-13-4-6-14(18)7-5-13/h4-9,19H,10-12H2,1-3H3
InChIKeyMEGMQGVSPGZJHB-UHFFFAOYSA-N
MW323.89 g/mol
LogP5.25
Rot. Bonds6

About N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114792588) has the molecular formula C17H22ClNOS and a molecular weight of 323.89 g/mol. Its IUPAC name is N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID114792588
Molecular FormulaC17H22ClNOS
Molecular Weight323.89 g/mol
Exact Mass323.11
IUPAC NameN-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(CSCc2ccc(Cl)cc2)o1
InChIInChI=1S/C17H22ClNOS/c1-17(2,3)19-10-15-8-9-16(20-15)12-21-11-13-4-6-14(18)7-5-13/h4-9,19H,10-12H2,1-3H3
InChIKeyMEGMQGVSPGZJHB-UHFFFAOYSA-N
XLogP5.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.89
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]ethanamine
CID 114792502
methyl 5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carboxylate
CID 112778806
5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 114792304
N-butyl-5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3358106
N-[[6-[(4-chlorophenyl)methylsulfanyl]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114792367
2-chloro-5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazole
CID 114790152
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
5-[(4-chlorophenyl)methylsulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 113222013
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 6471479
3-[(4-chlorophenyl)methylsulfanyl]-2-hydroxy-2-methylpropanoic acid
CID 114790011
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
3-[(4-chlorophenyl)methylsulfanyl]-2-methyl-2-(propylamino)propanoic acid
CID 114791793

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 114792588) is N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(CSCc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MEGMQGVSPGZJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNOS/c1-17(2,3)19-10-15-8-9-16(20-15)12-21-11-13-4-6-14(18)7-5-13/h4-9,19H,10-12H2,1-3H3.
What are the key properties of N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 323.89 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114792588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).