7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C12H16ClNO — CID 43175689

IUPAC7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCc1cc2c(c(C)c1Cl)C(N)CCCO2
InChIInChI=1S/C12H16ClNO/c1-7-6-10-11(8(2)12(7)13)9(14)4-3-5-15-10/h6,9H,3-5,14H2,1-2H3
InChIKeyANPZBKYNNMDUOI-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.13
Rot. Bonds

About 7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 43175689) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

Compound Name7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID43175689
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCc1cc2c(c(C)c1Cl)C(N)CCCO2
InChIInChI=1S/C12H16ClNO/c1-7-6-10-11(8(2)12(7)13)9(14)4-3-5-15-10/h6,9H,3-5,14H2,1-2H3
InChIKeyANPZBKYNNMDUOI-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine-5-carbonitrile
CID 82243370
6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43512713
(5S)-6,8-dimethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014321
7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 79017954
6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461710
(5S)-9-fluoro-6-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014270
(5R)-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990333
7-chloro-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55273084
(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115484988
5-chloro-4,6-dimethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83050116
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of 7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 43175689) is 7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for 7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for 7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is Cc1cc2c(c(C)c1Cl)C(N)CCCO2.
What is the InChIKey of 7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is ANPZBKYNNMDUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-7-6-10-11(8(2)12(7)13)9(14)4-3-5-15-10/h6,9H,3-5,14H2,1-2H3.
What are the key properties of 7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 225.72 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 43175689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).