(1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine

C14H18N2OS — CID 97232073

IUPAC(1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine
SMILESCc1ccc([C@H](C)NCCOc2cccnc2)s1
InChIInChI=1S/C14H18N2OS/c1-11-5-6-14(18-11)12(2)16-8-9-17-13-4-3-7-15-10-13/h3-7,10,12,16H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyGFLGVPNMSQEKKL-LBPRGKRZSA-N
MW262.38 g/mol
LogP3.18
Rot. Bonds6

About (1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine

(1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine (PubChem CID 97232073) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine
PubChem CID97232073
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine
SMILESCc1ccc([C@H](C)NCCOc2cccnc2)s1
InChIInChI=1S/C14H18N2OS/c1-11-5-6-14(18-11)12(2)16-8-9-17-13-4-3-7-15-10-13/h3-7,10,12,16H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyGFLGVPNMSQEKKL-LBPRGKRZSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 55012623
2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine
CID 115720180
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
(1S)-1-(5-ethylfuran-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 97322477
3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine
CID 18433344
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
N-(2-pyridin-3-yloxyethyl)hexan-3-amine
CID 115905779
1-(5-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55151709
N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 63824599
3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 62583458
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine?
The IUPAC name of (1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine (CID 97232073) is (1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine.
What is the SMILES notation for (1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine?
The canonical SMILES for (1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine is Cc1ccc([C@H](C)NCCOc2cccnc2)s1.
What is the InChIKey of (1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine?
The InChIKey is GFLGVPNMSQEKKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11-5-6-14(18-11)12(2)16-8-9-17-13-4-3-7-15-10-13/h3-7,10,12,16H,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine?
(1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methylthiophen-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine is sourced from PubChem (CID 97232073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).