N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine

C15H22Cl2N2O — CID 83100433

IUPACN-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-11(2)18-8-14-10-20-6-5-19(14)9-12-7-13(16)3-4-15(12)17/h3-4,7,11,14,18H,5-6,8-10H2,1-2H3
InChIKeyJPZYFGCVEYGFPG-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.19
Rot. Bonds5

About N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine

N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine (PubChem CID 83100433) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
PubChem CID83100433
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-11(2)18-8-14-10-20-6-5-19(14)9-12-7-13(16)3-4-15(12)17/h3-4,7,11,14,18H,5-6,8-10H2,1-2H3
InChIKeyJPZYFGCVEYGFPG-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65317396
N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100350
N-[[4-[(2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100679
4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine
CID 103050076
N-[[4-[(6-methyl-2-pyridinyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100188
N-[[4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100020
N-[[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83101344
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 65317442
4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098354
4-[(2-chloro-5-nitrophenyl)methyl]-3-ethylmorpholine
CID 43613129

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine (CID 83100433) is N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine is CC(C)NCC1COCCN1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is JPZYFGCVEYGFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-11(2)18-8-14-10-20-6-5-19(14)9-12-7-13(16)3-4-15(12)17/h3-4,7,11,14,18H,5-6,8-10H2,1-2H3.
What are the key properties of N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine?
N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 317.26 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,5-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83100433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).