2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

C15H18ClNOS — CID 55092951

IUPAC2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1cc(Cl)ccc1OC(C)CNCc1cccs1
InChIInChI=1S/C15H18ClNOS/c1-11-8-13(16)5-6-15(11)18-12(2)9-17-10-14-4-3-7-19-14/h3-8,12,17H,9-10H2,1-2H3
InChIKeyJHKSGKMVWHEVNS-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.27
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 55092951) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID55092951
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1cc(Cl)ccc1OC(C)CNCc1cccs1
InChIInChI=1S/C15H18ClNOS/c1-11-8-13(16)5-6-15(11)18-12(2)9-17-10-14-4-3-7-19-14/h3-8,12,17H,9-10H2,1-2H3
InChIKeyJHKSGKMVWHEVNS-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798982
(2S)-2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 898910
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798902
N-[2-(4-chloro-2-methylphenoxy)propyl]-3-methylbutan-1-amine
CID 63506904
2-(2,3-difluorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63038033
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83141001
2-(4-chloro-2-methylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62571552
2-(4-chloro-2-methylphenoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62571399
2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55088459
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632969
N-[2-(4-chloro-2-methylphenoxy)propyl]butan-2-amine
CID 62571241

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 55092951) is 2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is Cc1cc(Cl)ccc1OC(C)CNCc1cccs1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is JHKSGKMVWHEVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-11-8-13(16)5-6-15(11)18-12(2)9-17-10-14-4-3-7-19-14/h3-8,12,17H,9-10H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 295.84 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55092951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).