N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine

C15H22Cl2N2O — CID 83100086

IUPACN-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-2-6-18-9-12-11-20-8-7-19(12)10-13-14(16)4-3-5-15(13)17/h3-5,12,18H,2,6-11H2,1H3
InChIKeyFMYPOFQPSBILCX-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.19
Rot. Bonds6

About N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine

N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine (PubChem CID 83100086) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
PubChem CID83100086
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-2-6-18-9-12-11-20-8-7-19(12)10-13-14(16)4-3-5-15(13)17/h3-5,12,18H,2,6-11H2,1H3
InChIKeyFMYPOFQPSBILCX-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100890
N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 102856201
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100255
N-[[4-(3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 83105942
N-[[4-[(4-ethylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100237
N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100725
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100659

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine (CID 83100086) is N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is FMYPOFQPSBILCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-2-6-18-9-12-11-20-8-7-19(12)10-13-14(16)4-3-5-15(13)17/h3-5,12,18H,2,6-11H2,1H3.
What are the key properties of N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 317.26 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 83100086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).