N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine

C14H20ClNS — CID 79942170

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine
SMILESCC(Cc1ccc(Cl)cc1)NC1CSC(C)C1
InChIInChI=1S/C14H20ClNS/c1-10(16-14-8-11(2)17-9-14)7-12-3-5-13(15)6-4-12/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyBCAYIIHYWVMQHU-UHFFFAOYSA-N
MW269.84 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine

N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine (PubChem CID 79942170) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine
PubChem CID79942170
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine
SMILESCC(Cc1ccc(Cl)cc1)NC1CSC(C)C1
InChIInChI=1S/C14H20ClNS/c1-10(16-14-8-11(2)17-9-14)7-12-3-5-13(15)6-4-12/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyBCAYIIHYWVMQHU-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677618
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-methylthiolan-3-amine
CID 81377862
N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine
CID 43677752
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine
CID 103911511
1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80562355
1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
CID 103779090
N-[1-(4-chlorophenyl)propan-2-yl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320624
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262639

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine (CID 79942170) is N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine is CC(Cc1ccc(Cl)cc1)NC1CSC(C)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine?
The InChIKey is BCAYIIHYWVMQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-10(16-14-8-11(2)17-9-14)7-12-3-5-13(15)6-4-12/h3-6,10-11,14,16H,7-9H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine?
N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine has a molecular weight of 269.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine is sourced from PubChem (CID 79942170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).