1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine

C16H25ClN2O — CID 79065335

IUPAC1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H25ClN2O/c1-4-16(2,19-8-10-20-11-9-19)15(18-3)13-6-5-7-14(17)12-13/h5-7,12,15,18H,4,8-11H2,1-3H3
InChIKeyFAZZCLWRJCTEBF-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.10
Rot. Bonds5

About 1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine

1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine (PubChem CID 79065335) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
PubChem CID79065335
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
SMILESCCC(C)(C(NC)c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H25ClN2O/c1-4-16(2,19-8-10-20-11-9-19)15(18-3)13-6-5-7-14(17)12-13/h5-7,12,15,18H,4,8-11H2,1-3H3
InChIKeyFAZZCLWRJCTEBF-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-1-(3-methylphenyl)-2-morpholin-4-ylbutyl]hydrazine
CID 105241501
[1-(3,4-dichlorophenyl)-2-methyl-2-morpholin-4-ylbutyl]hydrazine
CID 105241529
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
N,2-dimethyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 79057876
N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79059314
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 79051461
N,2-dimethyl-2-morpholin-4-yl-1-phenylpropan-1-amine
CID 79050725
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319
1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068490
[1-(furan-3-yl)-2-methyl-2-morpholin-4-ylbutyl]hydrazine
CID 105241578
1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
CID 114656870
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine (CID 79065335) is 1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine is CCC(C)(C(NC)c1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine?
The InChIKey is FAZZCLWRJCTEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-16(2,19-8-10-20-11-9-19)15(18-3)13-6-5-7-14(17)12-13/h5-7,12,15,18H,4,8-11H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine?
1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine has a molecular weight of 296.84 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 79065335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).