(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine

C10H17NOS — CID 95366277

IUPAC(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
SMILESCC[C@H](COC)NCc1cccs1
InChIInChI=1S/C10H17NOS/c1-3-9(8-12-2)11-7-10-5-4-6-13-10/h4-6,9,11H,3,7-8H2,1-2H3/t9-/m1/s1
InChIKeyDUSMKIQAVAOXFS-SECBINFHSA-N
MW199.32 g/mol
LogP2.26
Rot. Bonds6

About (2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine

(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine (PubChem CID 95366277) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
PubChem CID95366277
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
SMILESCC[C@H](COC)NCc1cccs1
InChIInChI=1S/C10H17NOS/c1-3-9(8-12-2)11-7-10-5-4-6-13-10/h4-6,9,11H,3,7-8H2,1-2H3/t9-/m1/s1
InChIKeyDUSMKIQAVAOXFS-SECBINFHSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
1-methoxy-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 63775708
4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 106675725
4-chloro-1-methoxy-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 106152704
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
CID 105134154
2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379566
3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61318743
N-(2-methoxyethoxy)-1-thiophen-2-ylmethanamine
CID 82711494
1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115615676
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine?
The IUPAC name of (2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine (CID 95366277) is (2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine?
The canonical SMILES for (2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine is CC[C@H](COC)NCc1cccs1.
What is the InChIKey of (2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine?
The InChIKey is DUSMKIQAVAOXFS-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-9(8-12-2)11-7-10-5-4-6-13-10/h4-6,9,11H,3,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine?
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 95366277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).