N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine

C18H24N2O — CID 57151269

IUPACN-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine
SMILESCOc1ccc(C)c(CNC(C)CCc2ccccc2)n1
InChIInChI=1S/C18H24N2O/c1-14-9-12-18(21-3)20-17(14)13-19-15(2)10-11-16-7-5-4-6-8-16/h4-9,12,15,19H,10-11,13H2,1-3H3
InChIKeyPPGKCMUELUAOSU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.51
Rot. Bonds7

About N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine

N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine (PubChem CID 57151269) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine
PubChem CID57151269
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine
SMILESCOc1ccc(C)c(CNC(C)CCc2ccccc2)n1
InChIInChI=1S/C18H24N2O/c1-14-9-12-18(21-3)20-17(14)13-19-15(2)10-11-16-7-5-4-6-8-16/h4-9,12,15,19H,10-11,13H2,1-3H3
InChIKeyPPGKCMUELUAOSU-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
CID 60657519
2,6-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 43085015
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796
(2S)-N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124830978
2-(6-methoxy-3-methyl-2-pyridinyl)-N-methylethanamine
CID 24959273
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine (CID 57151269) is N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine is COc1ccc(C)c(CNC(C)CCc2ccccc2)n1.
What is the InChIKey of N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine?
The InChIKey is PPGKCMUELUAOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-9-12-18(21-3)20-17(14)13-19-15(2)10-11-16-7-5-4-6-8-16/h4-9,12,15,19H,10-11,13H2,1-3H3.
What are the key properties of N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine?
N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 57151269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).