(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine

C14H16ClNOS — CID 62921378

IUPAC(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H16ClNOS/c1-2-8-17-11-5-3-4-10(9-11)14(16)12-6-7-13(15)18-12/h3-7,9,14H,2,8,16H2,1H3
InChIKeyCZMNNNGXPTWWIK-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.24
Rot. Bonds5

About (5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine

(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine (PubChem CID 62921378) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
PubChem CID62921378
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(N)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H16ClNOS/c1-2-8-17-11-5-3-4-10(9-11)14(16)12-6-7-13(15)18-12/h3-7,9,14H,2,8,16H2,1H3
InChIKeyCZMNNNGXPTWWIK-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 102828054
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
(3,4-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 62920523
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
(3-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62499480
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine
CID 62499814
[(5-chlorothiophen-2-yl)-(4-propoxyphenyl)methyl]hydrazine
CID 105303654
(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
CID 62919680
1-(5-chlorothiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026778
1-benzothiophen-7-yl-(3-propoxyphenyl)methanamine
CID 105021889
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine (CID 62921378) is (5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(N)c2ccc(Cl)s2)c1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine?
The InChIKey is CZMNNNGXPTWWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-2-8-17-11-5-3-4-10(9-11)14(16)12-6-7-13(15)18-12/h3-7,9,14H,2,8,16H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine?
(5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine has a molecular weight of 281.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 62921378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).