2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine

C20H32Cl2N2O — CID 54767909

IUPAC2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine
SMILESCCCCCC(CN(C)C)C(c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H32Cl2N2O/c1-4-5-6-7-17(15-23(2)3)20(24-10-12-25-13-11-24)16-8-9-18(21)19(22)14-16/h8-9,14,17,20H,4-7,10-13,15H2,1-3H3
InChIKeyRJAZSGVYSFEDQO-UHFFFAOYSA-N
MW387.40 g/mol
LogP5.12
Rot. Bonds9

About 2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine

2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine (PubChem CID 54767909) has the molecular formula C20H32Cl2N2O and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine
PubChem CID54767909
Molecular FormulaC20H32Cl2N2O
Molecular Weight387.40 g/mol
Exact Mass386.19
IUPAC Name2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine
SMILESCCCCCC(CN(C)C)C(c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H32Cl2N2O/c1-4-5-6-7-17(15-23(2)3)20(24-10-12-25-13-11-24)16-8-9-18(21)19(22)14-16/h8-9,14,17,20H,4-7,10-13,15H2,1-3H3
InChIKeyRJAZSGVYSFEDQO-UHFFFAOYSA-N
XLogP5.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767240
2-(3,4-dichlorophenyl)-N,N-dimethyl-2-pyrrolidin-1-ylethanamine
CID 54766010
1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-1-ethylsulfanylnonan-3-one;hydrochloride
CID 131885093
(1S)-1-[24-[(1S)-1-hydroxynonyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]nonan-1-ol
CID 98159723
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43486466
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698
1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987402
[1-(3,4-dichlorophenyl)-2-methyl-2-morpholin-4-ylbutyl]hydrazine
CID 105241529
1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
CID 6917732
6-(1-bromohexyl)-2,3-dihydro-1,4-benzodioxine
CID 55199144
1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307770

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine?
The IUPAC name of 2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine (CID 54767909) is 2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine is CCCCCC(CN(C)C)C(c1ccc(Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine?
The InChIKey is RJAZSGVYSFEDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32Cl2N2O/c1-4-5-6-7-17(15-23(2)3)20(24-10-12-25-13-11-24)16-8-9-18(21)19(22)14-16/h8-9,14,17,20H,4-7,10-13,15H2,1-3H3.
What are the key properties of 2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine?
2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine has a molecular weight of 387.40 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-N,N-dimethylheptan-1-amine is sourced from PubChem (CID 54767909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).