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

C18H24N2O — CID 107876007

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
SMILESCOc1ncccc1CNCC(c1ccccc1)C(C)C
InChIInChI=1S/C18H24N2O/c1-14(2)17(15-8-5-4-6-9-15)13-19-12-16-10-7-11-20-18(16)21-3/h4-11,14,17,19H,12-13H2,1-3H3
InChIKeyUFSUDVMJTADPDH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.62
Rot. Bonds7

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

N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine (PubChem CID 107876007) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
PubChem CID107876007
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
SMILESCOc1ncccc1CNCC(c1ccccc1)C(C)C
InChIInChI=1S/C18H24N2O/c1-14(2)17(15-8-5-4-6-9-15)13-19-12-16-10-7-11-20-18(16)21-3/h4-11,14,17,19H,12-13H2,1-3H3
InChIKeyUFSUDVMJTADPDH-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64538441
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777
(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
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
CID 114333213
1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 63933376

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine (CID 107876007) is N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine is COc1ncccc1CNCC(c1ccccc1)C(C)C.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine?
The InChIKey is UFSUDVMJTADPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)17(15-8-5-4-6-9-15)13-19-12-16-10-7-11-20-18(16)21-3/h4-11,14,17,19H,12-13H2,1-3H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.62, 7 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]-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107876007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).