1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine

C15H24N2O — CID 63795228

IUPAC1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
SMILESCc1cc(CC(C)N)ccc1N1CCCOCC1
InChIInChI=1S/C15H24N2O/c1-12-10-14(11-13(2)16)4-5-15(12)17-6-3-8-18-9-7-17/h4-5,10,13H,3,6-9,11,16H2,1-2H3
InChIKeyHTVSMCXUQDVKBU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds3

About 1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine

1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine (PubChem CID 63795228) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
PubChem CID63795228
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
SMILESCc1cc(CC(C)N)ccc1N1CCCOCC1
InChIInChI=1S/C15H24N2O/c1-12-10-14(11-13(2)16)4-5-15(12)17-6-3-8-18-9-7-17/h4-5,10,13H,3,6-9,11,16H2,1-2H3
InChIKeyHTVSMCXUQDVKBU-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 63795074
1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
CID 55236412
1-[2-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 55236036
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine
CID 104961314
1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
CID 63785664
1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine
CID 63980311
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
1-[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-methylphenyl]propan-2-amine
CID 107459824
5-(2-methylpropyl)-2-morpholin-4-ylaniline
CID 18952283
3-methyl-4-morpholin-4-ylaniline
CID 10607787
1-[3-bromo-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62973068
1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
CID 170894305

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine (CID 63795228) is 1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine is Cc1cc(CC(C)N)ccc1N1CCCOCC1.
What is the InChIKey of 1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine?
The InChIKey is HTVSMCXUQDVKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-10-14(11-13(2)16)4-5-15(12)17-6-3-8-18-9-7-17/h4-5,10,13H,3,6-9,11,16H2,1-2H3.
What are the key properties of 1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine?
1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63795228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).