N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine

C17H22N2O — CID 60858501

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCOc1ncccc1CNC(c1ccccc1)C(C)C
InChIInChI=1S/C17H22N2O/c1-13(2)16(14-8-5-4-6-9-14)19-12-15-10-7-11-18-17(15)20-3/h4-11,13,16,19H,12H2,1-3H3
InChIKeyFRTKDKWHYGYDPK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.58
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine

N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 60858501) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID60858501
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCOc1ncccc1CNC(c1ccccc1)C(C)C
InChIInChI=1S/C17H22N2O/c1-13(2)16(14-8-5-4-6-9-14)19-12-15-10-7-11-18-17(15)20-3/h4-11,13,16,19H,12H2,1-3H3
InChIKeyFRTKDKWHYGYDPK-UHFFFAOYSA-N
XLogP3.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876007
(1S)-2-methyl-1-phenyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 124823553
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229
(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine (CID 60858501) is N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine is COc1ncccc1CNC(c1ccccc1)C(C)C.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is FRTKDKWHYGYDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(2)16(14-8-5-4-6-9-14)19-12-15-10-7-11-18-17(15)20-3/h4-11,13,16,19H,12H2,1-3H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 60858501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).