N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine

C17H20F2N2O — CID 46954040

IUPACN-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCOCCCN(Cc1ccccn1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H20F2N2O/c1-22-10-4-9-21(13-16-5-2-3-8-20-16)12-14-6-7-15(18)11-17(14)19/h2-3,5-8,11H,4,9-10,12-13H2,1H3
InChIKeyUTPUBPOHMBUQSK-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.40
Rot. Bonds8

About N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine

N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 46954040) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID46954040
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCOCCCN(Cc1ccccn1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H20F2N2O/c1-22-10-4-9-21(13-16-5-2-3-8-20-16)12-14-6-7-15(18)11-17(14)19/h2-3,5-8,11H,4,9-10,12-13H2,1H3
InChIKeyUTPUBPOHMBUQSK-UHFFFAOYSA-N
XLogP3.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954062
6-bromo-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 67128562
1-[(2,4-difluorophenyl)methyl-(3-methoxypropyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 24713954
3-methoxy-N-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 95853371
1-(2,4-difluorophenyl)-N'-(2-methoxyethyl)-N'-(3-methoxypropyl)ethane-1,2-diamine
CID 107520337
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670249
2-[3-[bis(pyridin-2-ylmethyl)amino]propoxy]acetic acid
CID 101459519
2-[[2-methoxyethyl(pyridin-2-ylmethyl)amino]methyl]-4-methyl-6-[(pyridin-2-ylmethylamino)methyl]phenol
CID 102443107
N-benzyl-N-[(2-bromo-4-fluorophenyl)methyl]-2-methoxyethanamine
CID 99174052
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 43588490
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine (CID 46954040) is N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine is COCCCN(Cc1ccccn1)Cc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is UTPUBPOHMBUQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c1-22-10-4-9-21(13-16-5-2-3-8-20-16)12-14-6-7-15(18)11-17(14)19/h2-3,5-8,11H,4,9-10,12-13H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine?
N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 306.36 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 46954040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).