1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol

C17H20ClNOS — CID 62630679

IUPAC1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol
SMILESOC(CCN(Cc1ccsc1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNOS/c18-15-3-1-14(2-4-15)17(20)7-9-19(16-5-6-16)11-13-8-10-21-12-13/h1-4,8,10,12,16-17,20H,5-7,9,11H2
InChIKeyHNLJNZNARVHMRB-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.49
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol

1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol (PubChem CID 62630679) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol
PubChem CID62630679
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol
SMILESOC(CCN(Cc1ccsc1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNOS/c18-15-3-1-14(2-4-15)17(20)7-9-19(16-5-6-16)11-13-8-10-21-12-13/h1-4,8,10,12,16-17,20H,5-7,9,11H2
InChIKeyHNLJNZNARVHMRB-UHFFFAOYSA-N
XLogP4.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630833
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62644706
1-(4-chlorophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62629823
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid
CID 55147673
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 79479893
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900408
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 80609529

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol (CID 62630679) is 1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol is OC(CCN(Cc1ccsc1)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol?
The InChIKey is HNLJNZNARVHMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c18-15-3-1-14(2-4-15)17(20)7-9-19(16-5-6-16)11-13-8-10-21-12-13/h1-4,8,10,12,16-17,20H,5-7,9,11H2.
What are the key properties of 1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol?
1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol has a molecular weight of 321.87 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 62630679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).