1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine

C14H15Cl2NOS — CID 65125066

IUPAC1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine
SMILESCC(N)C(OCc1ccc(Cl)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H15Cl2NOS/c1-9(17)14(12-6-7-13(16)19-12)18-8-10-2-4-11(15)5-3-10/h2-7,9,14H,8,17H2,1H3
InChIKeyVAJSHKGRRREGPK-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.66
Rot. Bonds5

About 1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine

1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine (PubChem CID 65125066) has the molecular formula C14H15Cl2NOS and a molecular weight of 316.25 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine
PubChem CID65125066
Molecular FormulaC14H15Cl2NOS
Molecular Weight316.25 g/mol
Exact Mass315.03
IUPAC Name1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine
SMILESCC(N)C(OCc1ccc(Cl)cc1)c1ccc(Cl)s1
InChIInChI=1S/C14H15Cl2NOS/c1-9(17)14(12-6-7-13(16)19-12)18-8-10-2-4-11(15)5-3-10/h2-7,9,14H,8,17H2,1H3
InChIKeyVAJSHKGRRREGPK-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 65124391
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 65124390
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
1-(5-chlorothiophen-2-yl)-1-(2,5-dibromo-4-methoxyphenoxy)propan-2-amine
CID 79406904
1-chloro-4-(1-ethoxyethoxymethyl)benzene
CID 19994952
1-(5-chlorothiophen-2-yl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine
CID 103531123
(5-chlorothiophen-2-yl)-methoxymethanamine
CID 116947254
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
2-amino-5-(5-chlorothiophen-2-yl)hexan-3-ol
CID 83934933

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine (CID 65125066) is 1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine is CC(N)C(OCc1ccc(Cl)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine?
The InChIKey is VAJSHKGRRREGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NOS/c1-9(17)14(12-6-7-13(16)19-12)18-8-10-2-4-11(15)5-3-10/h2-7,9,14H,8,17H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine?
1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine has a molecular weight of 316.25 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 65125066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).