N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine

C21H23NOS — CID 123703627

IUPACN-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine
SMILESCc1ccsc1COCCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NOS/c1-17-12-15-24-20(17)16-23-14-13-22-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,15,21-22H,13-14,16H2,1H3
InChIKeyAECCHUYSOKYCKF-UHFFFAOYSA-N
MW337.49 g/mol
LogP4.95
Rot. Bonds8

About N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine

N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine (PubChem CID 123703627) has the molecular formula C21H23NOS and a molecular weight of 337.49 g/mol. Its IUPAC name is N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine
PubChem CID123703627
Molecular FormulaC21H23NOS
Molecular Weight337.49 g/mol
Exact Mass337.15
IUPAC NameN-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine
SMILESCc1ccsc1COCCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NOS/c1-17-12-15-24-20(17)16-23-14-13-22-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,15,21-22H,13-14,16H2,1H3
InChIKeyAECCHUYSOKYCKF-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine 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-benzyl-1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)methanamine
CID 25164277
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethyl]piperazine
CID 44358247
(3S,6S)-6-Benzhydryl-N-(thiophen-2-ylmethyl)tetrahydro-2H-pyran-3-amine
CID 46869266
N-benzyl-1-[(6R)-1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl]methanamine
CID 49798749
[2-(Benzhydrylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2372290
(10S)-10-benzyl-11-methyl-8-oxa-4-thia-11-azatricyclo[11.4.0.02,6]heptadeca-1(17),2,5,13,15-pentaene
CID 102241230
(2S,3S,4S)-4-(benzylamino)-3-phenylmethoxy-4-thiophen-2-ylbutane-1,2-diol
CID 390823
2-phenyl-N-(thiophen-3-ylmethyl)oxolan-3-amine
CID 71981378
(1S)-1-(3-methylthiophen-2-yl)-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]ethanamine
CID 97322369
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine
CID 23186942
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine;hydrochloride
CID 88401993
(2S,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-thiophen-2-ylpiperidine
CID 88401997

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine?
The IUPAC name of N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine (CID 123703627) is N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine.
What is the SMILES notation for N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine?
The canonical SMILES for N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine is Cc1ccsc1COCCNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine?
The InChIKey is AECCHUYSOKYCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NOS/c1-17-12-15-24-20(17)16-23-14-13-22-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,15,21-22H,13-14,16H2,1H3.
What are the key properties of N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine?
N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine has a molecular weight of 337.49 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine is sourced from PubChem (CID 123703627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).