(7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine

C16H23ClN2O — CID 82544538

IUPAC(7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
SMILESCOc1ccc(Cl)c2c1CN(C1CCCCC1)C2CN
InChIInChI=1S/C16H23ClN2O/c1-20-15-8-7-13(17)16-12(15)10-19(14(16)9-18)11-5-3-2-4-6-11/h7-8,11,14H,2-6,9-10,18H2,1H3
InChIKeyQWMMRWHOSFWXHY-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.50
Rot. Bonds3

About (7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine

(7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82544538) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82544538
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
SMILESCOc1ccc(Cl)c2c1CN(C1CCCCC1)C2CN
InChIInChI=1S/C16H23ClN2O/c1-20-15-8-7-13(17)16-12(15)10-19(14(16)9-18)11-5-3-2-4-6-11/h7-8,11,14H,2-6,9-10,18H2,1H3
InChIKeyQWMMRWHOSFWXHY-UHFFFAOYSA-N
XLogP3.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(aminomethyl)-7-chloro-4-methoxy-1,3-dihydroisoindol-2-yl]methyl]-N,N-dimethylaniline
CID 110449902
(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544375
4,5-dichloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 104546674
7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 18386395
(5S)-4-chloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 104546659
(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545315
1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 104546666
4-[1-(aminomethyl)-4-chloro-1,3-dihydroisoindol-2-yl]cyclohexan-1-ol
CID 82545163
(2-ethyl-7-fluoro-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544863
1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 21120088
8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 138400676
(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545132

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine (CID 82544538) is (7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine is COc1ccc(Cl)c2c1CN(C1CCCCC1)C2CN.
What is the InChIKey of (7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is QWMMRWHOSFWXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-20-15-8-7-13(17)16-12(15)10-19(14(16)9-18)11-5-3-2-4-6-11/h7-8,11,14H,2-6,9-10,18H2,1H3.
What are the key properties of (7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine?
(7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 294.83 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82544538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).