[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine

C12H16Cl2N2O — CID 10308229

IUPAC[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C12H16Cl2N2O/c13-11-2-1-9(5-12(11)14)7-16-3-4-17-10(6-15)8-16/h1-2,5,10H,3-4,6-8,15H2
InChIKeyUANWWXRZQGYWSR-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.15
Rot. Bonds3

About [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine

[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 10308229) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
PubChem CID10308229
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C12H16Cl2N2O/c13-11-2-1-9(5-12(11)14)7-16-3-4-17-10(6-15)8-16/h1-2,5,10H,3-4,6-8,15H2
InChIKeyUANWWXRZQGYWSR-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
[4-[(4-propan-2-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 61338959
1-[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-N-methylmethanamine;ethane
CID 143608551
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74234750
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine
CID 102352345
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine (CID 10308229) is [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine is NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is UANWWXRZQGYWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-11-2-1-9(5-12(11)14)7-16-3-4-17-10(6-15)8-16/h1-2,5,10H,3-4,6-8,15H2.
What are the key properties of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 275.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 10308229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).