(2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine

C10H17NOS — CID 28612946

IUPAC(2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
SMILESCOC[C@@H](C)NCc1ccc(C)s1
InChIInChI=1S/C10H17NOS/c1-8(7-12-3)11-6-10-5-4-9(2)13-10/h4-5,8,11H,6-7H2,1-3H3/t8-/m1/s1
InChIKeyKIMLAKXNVMEVFR-MRVPVSSYSA-N
MW199.32 g/mol
LogP2.18
Rot. Bonds5

About (2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine

(2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 28612946) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
PubChem CID28612946
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
SMILESCOC[C@@H](C)NCc1ccc(C)s1
InChIInChI=1S/C10H17NOS/c1-8(7-12-3)11-6-10-5-4-9(2)13-10/h4-5,8,11H,6-7H2,1-3H3/t8-/m1/s1
InChIKeyKIMLAKXNVMEVFR-MRVPVSSYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N'-(2-thienylmethyl)thiourea
CID 2168467
2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-butan-1-ol
CID 3156001
(5-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 2966635
2-[(2-{[(5-Methyl-2-thienyl)methyl]amino}ethyl)amino]ethanol dihydrochloride
CID 16189723
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Thenylamine, alpha-methyl-N-(2-oxazolin-2-yl)-
CID 215273
2-Morpholin-4-yl-2-thiophen-2-yl-ethylamine
CID 3815310
Methyl[1-(thiophen-2-yl)ethyl]amine
CID 458576
(3-Isopropoxy-propyl)-thiophen-2-ylmethyl-amine
CID 3155084
[2-(4-Morpholinyl)ethyl](2-thienylmethyl)amine dihydrochloride
CID 9550544
[3-(Morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine hydrochloride
CID 9551938
2-Methyl-2-(thiophen-2-ylmethylamino)propan-1-ol;hydrochloride
CID 16189453

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine (CID 28612946) is (2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine is COC[C@@H](C)NCc1ccc(C)s1.
What is the InChIKey of (2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is KIMLAKXNVMEVFR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8(7-12-3)11-6-10-5-4-9(2)13-10/h4-5,8,11H,6-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine?
(2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 28612946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).