N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine

C23H27N3O — CID 138738145

IUPACN-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine
SMILESCNCCC(Oc1ccccc1CNCc1ccccn1)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-24-16-14-23(19-9-3-2-4-10-19)27-22-13-6-5-11-20(22)17-25-18-21-12-7-8-15-26-21/h2-13,15,23-25H,14,16-18H2,1H3
InChIKeyGNKNFIPANDFOCK-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.10
Rot. Bonds10

About N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine

N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine (PubChem CID 138738145) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine
PubChem CID138738145
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine
SMILESCNCCC(Oc1ccccc1CNCc1ccccn1)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-24-16-14-23(19-9-3-2-4-10-19)27-22-13-6-5-11-20(22)17-25-18-21-12-7-8-15-26-21/h2-13,15,23-25H,14,16-18H2,1H3
InChIKeyGNKNFIPANDFOCK-UHFFFAOYSA-N
XLogP4.10
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305
N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
3-phenyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 71664025
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
CID 161266462
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine
CID 122581769

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine?
The IUPAC name of N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine (CID 138738145) is N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine is CNCCC(Oc1ccccc1CNCc1ccccn1)c1ccccc1.
What is the InChIKey of N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine?
The InChIKey is GNKNFIPANDFOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-24-16-14-23(19-9-3-2-4-10-19)27-22-13-6-5-11-20(22)17-25-18-21-12-7-8-15-26-21/h2-13,15,23-25H,14,16-18H2,1H3.
What are the key properties of N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine?
N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine has a molecular weight of 361.49 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine is sourced from PubChem (CID 138738145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).