N-(3,5-dimethylphenyl)oxepan-4-amine

C14H21NO — CID 65076882

IUPACN-(3,5-dimethylphenyl)oxepan-4-amine
SMILESCc1cc(C)cc(NC2CCCOCC2)c1
InChIInChI=1S/C14H21NO/c1-11-8-12(2)10-14(9-11)15-13-4-3-6-16-7-5-13/h8-10,13,15H,3-7H2,1-2H3
InChIKeyPXJHQOBUNLNWHB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.28
Rot. Bonds2

About N-(3,5-dimethylphenyl)oxepan-4-amine

N-(3,5-dimethylphenyl)oxepan-4-amine (PubChem CID 65076882) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)oxepan-4-amine
PubChem CID65076882
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(3,5-dimethylphenyl)oxepan-4-amine
SMILESCc1cc(C)cc(NC2CCCOCC2)c1
InChIInChI=1S/C14H21NO/c1-11-8-12(2)10-14(9-11)15-13-4-3-6-16-7-5-13/h8-10,13,15H,3-7H2,1-2H3
InChIKeyPXJHQOBUNLNWHB-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)oxepan-4-amine
CID 103582092
3-N-cyclooctyl-5-methylbenzene-1,3-diamine
CID 112646949
N-[4-methyl-3-(trifluoromethyl)phenyl]oxepan-4-amine
CID 65081917
N-(2,4,6-tribromophenyl)oxepan-4-amine
CID 65076459
4-N,4-N-dimethyl-1-N-(oxepan-4-yl)benzene-1,4-diamine
CID 65081872
3-N-cyclopropyl-5-methylbenzene-1,3-diamine
CID 112646925
2-methyl-5-(oxepan-4-ylamino)benzenesulfonamide
CID 65077103
N-(3-propan-2-ylphenyl)oxepan-4-amine
CID 65076670
N-(3-methylsulfanylphenyl)oxepan-4-amine
CID 65076766
6-bromo-N-(oxepan-4-yl)pyridin-3-amine
CID 104718841
2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine
CID 65082102
N-(2-bromo-5-chloro-4-methylphenyl)oxepan-4-amine
CID 113445409

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)oxepan-4-amine?
The IUPAC name of N-(3,5-dimethylphenyl)oxepan-4-amine (CID 65076882) is N-(3,5-dimethylphenyl)oxepan-4-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)oxepan-4-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)oxepan-4-amine is Cc1cc(C)cc(NC2CCCOCC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)oxepan-4-amine?
The InChIKey is PXJHQOBUNLNWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-8-12(2)10-14(9-11)15-13-4-3-6-16-7-5-13/h8-10,13,15H,3-7H2,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)oxepan-4-amine?
N-(3,5-dimethylphenyl)oxepan-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)oxepan-4-amine is sourced from PubChem (CID 65076882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).