N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine

C15H22F2N2O — CID 83099915

IUPACN-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1cccc(F)c1F
InChIInChI=1S/C15H22F2N2O/c1-2-6-18-9-13-11-20-8-7-19(13)10-12-4-3-5-14(16)15(12)17/h3-5,13,18H,2,6-11H2,1H3
InChIKeyXFLNRARSWFRHJD-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.17
Rot. Bonds6

About N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine

N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine (PubChem CID 83099915) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
PubChem CID83099915
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1cccc(F)c1F
InChIInChI=1S/C15H22F2N2O/c1-2-6-18-9-13-11-20-8-7-19(13)10-12-4-3-5-14(16)15(12)17/h3-5,13,18H,2,6-11H2,1H3
InChIKeyXFLNRARSWFRHJD-UHFFFAOYSA-N
XLogP2.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099905
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 102856201
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100890
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100255
1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 104792418
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592212
N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100350
N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83101094
N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 55220491
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine (CID 83099915) is N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1Cc1cccc(F)c1F.
What is the InChIKey of N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is XFLNRARSWFRHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-2-6-18-9-13-11-20-8-7-19(13)10-12-4-3-5-14(16)15(12)17/h3-5,13,18H,2,6-11H2,1H3.
What are the key properties of N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 284.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 83099915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).