2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine

C23H32N2O — CID 175130962

IUPAC2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine
SMILESCCCCc1ccc(N2CCOC(Cc3ccccc3)(N(C)C)C2)cc1
InChIInChI=1S/C23H32N2O/c1-4-5-9-20-12-14-22(15-13-20)25-16-17-26-23(19-25,24(2)3)18-21-10-7-6-8-11-21/h6-8,10-15H,4-5,9,16-19H2,1-3H3
InChIKeyRRBQVDGDZLJJAH-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.37
Rot. Bonds7

About 2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine

2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine (PubChem CID 175130962) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine.

Molecular Properties

Compound Name2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine
PubChem CID175130962
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine
SMILESCCCCc1ccc(N2CCOC(Cc3ccccc3)(N(C)C)C2)cc1
InChIInChI=1S/C23H32N2O/c1-4-5-9-20-12-14-22(15-13-20)25-16-17-26-23(19-25,24(2)3)18-21-10-7-6-8-11-21/h6-8,10-15H,4-5,9,16-19H2,1-3H3
InChIKeyRRBQVDGDZLJJAH-UHFFFAOYSA-N
XLogP4.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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CID 162352103
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2-ethyl-2-methyl-4-phenylmorpholine
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1-phenyl-4-(4-propylphenyl)piperazine
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4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine
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4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562539
1-(4-pentylphenyl)pyrrolidine
CID 168512151
butylbenzene;propylbenzene
CID 142022125
N,N-dibutylaniline;4-phenylmorpholine
CID 159818534
butylbenzene;hydroxylamine
CID 175142403
4-(4-benzylphenyl)morpholine
CID 11514364

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine?
The IUPAC name of 2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine (CID 175130962) is 2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine.
What is the SMILES notation for 2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine?
The canonical SMILES for 2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine is CCCCc1ccc(N2CCOC(Cc3ccccc3)(N(C)C)C2)cc1.
What is the InChIKey of 2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine?
The InChIKey is RRBQVDGDZLJJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-4-5-9-20-12-14-22(15-13-20)25-16-17-26-23(19-25,24(2)3)18-21-10-7-6-8-11-21/h6-8,10-15H,4-5,9,16-19H2,1-3H3.
What are the key properties of 2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine?
2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine has a molecular weight of 352.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-butylphenyl)-N,N-dimethylmorpholin-2-amine is sourced from PubChem (CID 175130962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).