N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine

C17H23N3O — CID 81249525

IUPACN-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCOc1ccc(N(C)c2ccncc2CNC(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-13(2)19-12-14-11-18-10-9-17(14)20(3)15-5-7-16(21-4)8-6-15/h5-11,13,19H,12H2,1-4H3
InChIKeyXUNRMFXWKQWQGC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.36
Rot. Bonds6

About N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine

N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81249525) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81249525
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCOc1ccc(N(C)c2ccncc2CNC(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-13(2)19-12-14-11-18-10-9-17(14)20(3)15-5-7-16(21-4)8-6-15/h5-11,13,19H,12H2,1-4H3
InChIKeyXUNRMFXWKQWQGC-UHFFFAOYSA-N
XLogP3.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073352
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
3-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-4-amine
CID 81246879
N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250914
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81254476
3-(ethylaminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 81249417
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81247407
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073614

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81249525) is N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine is COc1ccc(N(C)c2ccncc2CNC(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is XUNRMFXWKQWQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)19-12-14-11-18-10-9-17(14)20(3)15-5-7-16(21-4)8-6-15/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81249525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).