N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine

C17H23N3O — CID 62281682

IUPACN-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)c1ccccc1OC
InChIInChI=1S/C17H23N3O/c1-4-11-18-13-14-8-7-12-19-17(14)20(2)15-9-5-6-10-16(15)21-3/h5-10,12,18H,4,11,13H2,1-3H3
InChIKeyVCTCDKZMMJHPSL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.36
Rot. Bonds7

About N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine

N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 62281682) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
PubChem CID62281682
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cccnc1N(C)c1ccccc1OC
InChIInChI=1S/C17H23N3O/c1-4-11-18-13-14-8-7-12-19-17(14)20(2)15-9-5-6-10-16(15)21-3/h5-10,12,18H,4,11,13H2,1-3H3
InChIKeyVCTCDKZMMJHPSL-UHFFFAOYSA-N
XLogP3.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632
N-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62280397
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 79858850
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80796240
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 62279941
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine (CID 62281682) is N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cccnc1N(C)c1ccccc1OC.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is VCTCDKZMMJHPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-11-18-13-14-8-7-12-19-17(14)20(2)15-9-5-6-10-16(15)21-3/h5-10,12,18H,4,11,13H2,1-3H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62281682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).