(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol

C17H21NOS — CID 103959893

IUPAC(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H21NOS/c1-2-17(19)15-7-3-4-8-16(15)18(13-9-10-13)12-14-6-5-11-20-14/h3-8,11,13,17,19H,2,9-10,12H2,1H3/t17-/m0/s1
InChIKeyVQFQUWYIYUNLKI-KRWDZBQOSA-N
MW287.43 g/mol
LogP4.36
Rot. Bonds6

About (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol

(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol (PubChem CID 103959893) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol
PubChem CID103959893
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H21NOS/c1-2-17(19)15-7-3-4-8-16(15)18(13-9-10-13)12-14-6-5-11-20-14/h3-8,11,13,17,19H,2,9-10,12H2,1H3/t17-/m0/s1
InChIKeyVQFQUWYIYUNLKI-KRWDZBQOSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61449002
(1S)-1-[3-bromo-4-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940254
1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
CID 102864135
2-bromo-6-[cyclopropyl(thiophen-2-ylmethyl)amino]benzenecarbothioamide
CID 114882097
4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 63368648
1-[4-bromo-2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanone
CID 82966803
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988
2-bromo-6-[cyclopropyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 114888164
(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939689
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
CID 62515880

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol (CID 103959893) is (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N(Cc1cccs1)C1CC1.
What is the InChIKey of (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol?
The InChIKey is VQFQUWYIYUNLKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-17(19)15-7-3-4-8-16(15)18(13-9-10-13)12-14-6-5-11-20-14/h3-8,11,13,17,19H,2,9-10,12H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol?
(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol has a molecular weight of 287.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103959893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).