1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol

C12H18ClNO2S — CID 60744396

IUPAC1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNCc1ccc(Cl)s1)COCC1CC1
InChIInChI=1S/C12H18ClNO2S/c13-12-4-3-11(17-12)6-14-5-10(15)8-16-7-9-1-2-9/h3-4,9-10,14-15H,1-2,5-8H2
InChIKeyNEQOMBGMARADGY-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.28
Rot. Bonds8

About 1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol

1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 60744396) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID60744396
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNCc1ccc(Cl)s1)COCC1CC1
InChIInChI=1S/C12H18ClNO2S/c13-12-4-3-11(17-12)6-14-5-10(15)8-16-7-9-1-2-9/h3-4,9-10,14-15H,1-2,5-8H2
InChIKeyNEQOMBGMARADGY-UHFFFAOYSA-N
XLogP2.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol
CID 111425399
1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol
CID 110911157
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532810
3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine
CID 66007810
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570073
2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 110935652
1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 110929248
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518339
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
1-(cyclopropylmethoxy)-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 60635323

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol (CID 60744396) is 1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol is OC(CNCc1ccc(Cl)s1)COCC1CC1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is NEQOMBGMARADGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c13-12-4-3-11(17-12)6-14-5-10(15)8-16-7-9-1-2-9/h3-4,9-10,14-15H,1-2,5-8H2.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol?
1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 275.80 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 60744396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).