1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine

C17H27N3O — CID 65070370

IUPAC1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine
SMILESCN1CCCC(Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C17H27N3O/c1-19-9-4-5-15(8-10-19)18-16-6-2-3-7-17(16)20-11-13-21-14-12-20/h2-3,6-7,15,18H,4-5,8-14H2,1H3
InChIKeyCFTBTERLDGFEMS-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.42
Rot. Bonds3

About 1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine

1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine (PubChem CID 65070370) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine
PubChem CID65070370
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine
SMILESCN1CCCC(Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C17H27N3O/c1-19-9-4-5-15(8-10-19)18-16-6-2-3-7-17(16)20-11-13-21-14-12-20/h2-3,6-7,15,18H,4-5,8-14H2,1H3
InChIKeyCFTBTERLDGFEMS-UHFFFAOYSA-N
XLogP2.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
N-(2-morpholin-4-ylphenyl)oxolan-3-amine
CID 63335851
N-(2-iodophenyl)-1-methylazepan-4-amine
CID 65071250
N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline
CID 62659401
N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
CID 65070089
1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine
CID 65071434
1,1-dioxo-N-(2-piperidin-1-ylphenyl)thian-4-amine
CID 43511595
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112885027
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide
CID 86784089
N-(1-cyclopropylethyl)-2-morpholin-4-ylaniline
CID 43717242

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine (CID 65070370) is 1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine is CN1CCCC(Nc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine?
The InChIKey is CFTBTERLDGFEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-9-4-5-15(8-10-19)18-16-6-2-3-7-17(16)20-11-13-21-14-12-20/h2-3,6-7,15,18H,4-5,8-14H2,1H3.
What are the key properties of 1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine?
1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine has a molecular weight of 289.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylphenyl)azepan-4-amine is sourced from PubChem (CID 65070370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).