(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine

C10H16N2O — CID 130691803

IUPAC(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1cccnc1[C@@H](N)C(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)9(11)10-8(13-3)5-4-6-12-10/h4-7,9H,11H2,1-3H3/t9-/m0/s1
InChIKeyGOKHCKFLFNLRMB-VIFPVBQESA-N
MW180.25 g/mol
LogP1.75
Rot. Bonds3

About (1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine

(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine (PubChem CID 130691803) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
PubChem CID130691803
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
SMILESCOc1cccnc1[C@@H](N)C(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)9(11)10-8(13-3)5-4-6-12-10/h4-7,9H,11H2,1-3H3/t9-/m0/s1
InChIKeyGOKHCKFLFNLRMB-VIFPVBQESA-N
XLogP1.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
2-(dichloromethyl)-3-methoxypyridine
CID 141354456
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 130650453
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114053803
N-ethyl-1-(3-methoxy-2-pyridinyl)-2,3-dimethylbutan-1-amine
CID 114054421
2-(diethoxymethyl)-3-methoxypyridine
CID 121221666
1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114054015
(2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054595
(2S)-2-bromo-2-(3-methoxy-2-pyridinyl)acetaldehyde
CID 146197520
1-(3-methoxy-2-pyridinyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 114054565

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine (CID 130691803) is (1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine is COc1cccnc1[C@@H](N)C(C)C.
What is the InChIKey of (1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine?
The InChIKey is GOKHCKFLFNLRMB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)9(11)10-8(13-3)5-4-6-12-10/h4-7,9H,11H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine?
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130691803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).