3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine

C15H24ClNS — CID 64632327

IUPAC3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine
SMILESCCCC(NCC)C(CC)Sc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNS/c1-4-8-14(17-6-3)15(5-2)18-13-10-7-9-12(16)11-13/h7,9-11,14-15,17H,4-6,8H2,1-3H3
InChIKeyLBJXOHBCFWYNPC-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.99
Rot. Bonds8

About 3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine

3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine (PubChem CID 64632327) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine
PubChem CID64632327
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine
SMILESCCCC(NCC)C(CC)Sc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNS/c1-4-8-14(17-6-3)15(5-2)18-13-10-7-9-12(16)11-13/h7,9-11,14-15,17H,4-6,8H2,1-3H3
InChIKeyLBJXOHBCFWYNPC-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)sulfanyl-N-methylheptan-4-amine
CID 64634700
3-(2,5-dichlorophenyl)sulfanyl-N-ethylheptan-4-amine
CID 64619681
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520
3-(3-chlorophenyl)sulfanylpentan-1-amine
CID 62645784
N-[2-(3-chlorophenyl)sulfanylpropyl]pentan-3-amine
CID 63516794
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
3-(3-chlorophenyl)-N-propylheptan-4-amine
CID 83051541
1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718090
3-(4-chlorophenyl)-N-ethylheptan-4-amine
CID 83051946
3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
CID 62647536
N-ethyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65040959

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine (CID 64632327) is 3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine is CCCC(NCC)C(CC)Sc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine?
The InChIKey is LBJXOHBCFWYNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-4-8-14(17-6-3)15(5-2)18-13-10-7-9-12(16)11-13/h7,9-11,14-15,17H,4-6,8H2,1-3H3.
What are the key properties of 3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine?
3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine has a molecular weight of 285.88 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-N-ethylheptan-4-amine is sourced from PubChem (CID 64632327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).