1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine

C18H30ClNS — CID 66140367

IUPAC1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
SMILESCCCCCCCCC(CSc1ccccc1Cl)NCC
InChIInChI=1S/C18H30ClNS/c1-3-5-6-7-8-9-12-16(20-4-2)15-21-18-14-11-10-13-17(18)19/h10-11,13-14,16,20H,3-9,12,15H2,1-2H3
InChIKeyRJGHYAFAKCJBBD-UHFFFAOYSA-N
MW327.96 g/mol
LogP6.16
Rot. Bonds12

About 1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine

1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine (PubChem CID 66140367) has the molecular formula C18H30ClNS and a molecular weight of 327.96 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
PubChem CID66140367
Molecular FormulaC18H30ClNS
Molecular Weight327.96 g/mol
Exact Mass327.18
IUPAC Name1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
SMILESCCCCCCCCC(CSc1ccccc1Cl)NCC
InChIInChI=1S/C18H30ClNS/c1-3-5-6-7-8-9-12-16(20-4-2)15-21-18-14-11-10-13-17(18)19/h10-11,13-14,16,20H,3-9,12,15H2,1-2H3
InChIKeyRJGHYAFAKCJBBD-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.96
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
CID 66051552
1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66141352
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
1-(3-bromophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66158840
1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321
1-(2-chlorophenyl)sulfanyl-4-methyl-N-propylpentan-2-amine
CID 66141176
[1-(2-chlorophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105237772
N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
CID 83161475
3-[3-(2-chlorophenyl)sulfanyl-2-(ethylamino)propyl]pyridin-2-amine
CID 66140175
N-ethyltetradecan-7-amine
CID 87847195

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine (CID 66140367) is 1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine is CCCCCCCCC(CSc1ccccc1Cl)NCC.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine?
The InChIKey is RJGHYAFAKCJBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNS/c1-3-5-6-7-8-9-12-16(20-4-2)15-21-18-14-11-10-13-17(18)19/h10-11,13-14,16,20H,3-9,12,15H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine?
1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine has a molecular weight of 327.96 g/mol, XLogP of 6.16, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine is sourced from PubChem (CID 66140367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).