(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine

C16H23ClN2 — CID 82545315

IUPAC(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(Cl)ccc2CN1C1CCCCCC1
InChIInChI=1S/C16H23ClN2/c17-13-8-7-12-11-19(16(10-18)15(12)9-13)14-5-3-1-2-4-6-14/h7-9,14,16H,1-6,10-11,18H2
InChIKeyJVUNPNZWMZPNOB-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.88
Rot. Bonds2

About (6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine

(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545315) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is (6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545315
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(Cl)ccc2CN1C1CCCCCC1
InChIInChI=1S/C16H23ClN2/c17-13-8-7-12-11-19(16(10-18)15(12)9-13)14-5-3-1-2-4-6-14/h7-9,14,16H,1-6,10-11,18H2
InChIKeyJVUNPNZWMZPNOB-UHFFFAOYSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine (CID 82545315) is (6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine is NCC1c2cc(Cl)ccc2CN1C1CCCCCC1.
What is the InChIKey of (6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is JVUNPNZWMZPNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-13-8-7-12-11-19(16(10-18)15(12)9-13)14-5-3-1-2-4-6-14/h7-9,14,16H,1-6,10-11,18H2.
What are the key properties of (6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine?
(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 278.83 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).